N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C17H29FN2 — CID 62270448

IUPACN-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H29FN2/c1-14(2)10-19-12-17(3,4)13-20(5)11-15-6-8-16(18)9-7-15/h6-9,14,19H,10-13H2,1-5H3
InChIKeyXWXOYJXSESEVAB-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.53
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62270448) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62270448
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H29FN2/c1-14(2)10-19-12-17(3,4)13-20(5)11-15-6-8-16(18)9-7-15/h6-9,14,19H,10-13H2,1-5H3
InChIKeyXWXOYJXSESEVAB-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258081
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62263625
N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494911

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62270448) is N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCC(C)(C)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is XWXOYJXSESEVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-14(2)10-19-12-17(3,4)13-20(5)11-15-6-8-16(18)9-7-15/h6-9,14,19H,10-13H2,1-5H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62270448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).