N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine

C23H30FN5 — CID 3193721

IUPACN-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)C(c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C23H30FN5/c1-17(2)21(22-25-26-27-29(22)23(3,4)5)28(15-18-9-7-6-8-10-18)16-19-11-13-20(24)14-12-19/h6-14,17,21H,15-16H2,1-5H3
InChIKeyUVOAHZDSQFHIHG-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.97
Rot. Bonds7

About N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine

N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 3193721) has the molecular formula C23H30FN5 and a molecular weight of 395.53 g/mol. Its IUPAC name is N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID3193721
Molecular FormulaC23H30FN5
Molecular Weight395.53 g/mol
Exact Mass395.25
IUPAC NameN-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)C(c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C23H30FN5/c1-17(2)21(22-25-26-27-29(22)23(3,4)5)28(15-18-9-7-6-8-10-18)16-19-11-13-20(24)14-12-19/h6-14,17,21H,15-16H2,1-5H3
InChIKeyUVOAHZDSQFHIHG-UHFFFAOYSA-N
XLogP4.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 1438756
(1S)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 25413953
3-[[benzyl-[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1436107
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3203320
3-[(S)-[benzyl-[(4-fluorophenyl)methyl]amino]-(1-tert-butyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 28503251
3-[[benzyl-[(4-fluorophenyl)methyl]amino]-(1-tert-butyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3149983
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204177
3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1436525
3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-[(4-methoxyphenyl)methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1436116
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3203284
benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 7140971
2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 3193719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine (CID 3193721) is N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine is CC(C)C(c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is UVOAHZDSQFHIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5/c1-17(2)21(22-25-26-27-29(22)23(3,4)5)28(15-18-9-7-6-8-10-18)16-19-11-13-20(24)14-12-19/h6-14,17,21H,15-16H2,1-5H3.
What are the key properties of N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine?
N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 395.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 3193721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).