N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine

C18H22FN — CID 43433338

IUPACN-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(C)(C)C(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-18(2,3)17(15-7-5-4-6-8-15)20-13-14-9-11-16(19)12-10-14/h4-12,17,20H,13H2,1-3H3
InChIKeyODTCDQQUBJYLJW-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.70
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 43433338) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID43433338
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(C)(C)C(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-18(2,3)17(15-7-5-4-6-8-15)20-13-14-9-11-16(19)12-10-14/h4-12,17,20H,13H2,1-3H3
InChIKeyODTCDQQUBJYLJW-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 62329574
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
CID 115951224
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 119127152
N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693292
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 64769741
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115652954
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446121

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (CID 43433338) is N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine is CC(C)(C)C(NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is ODTCDQQUBJYLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-18(2,3)17(15-7-5-4-6-8-15)20-13-14-9-11-16(19)12-10-14/h4-12,17,20H,13H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43433338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).