N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine

C15H26N2 — CID 115213095

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine
SMILESCCCC(C)(C)CNCc1cccc(CN)c1
InChIInChI=1S/C15H26N2/c1-4-8-15(2,3)12-17-11-14-7-5-6-13(9-14)10-16/h5-7,9,17H,4,8,10-12,16H2,1-3H3
InChIKeyMBOBOVZZFTYPPH-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.06
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine

N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine (PubChem CID 115213095) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine
PubChem CID115213095
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine
SMILESCCCC(C)(C)CNCc1cccc(CN)c1
InChIInChI=1S/C15H26N2/c1-4-8-15(2,3)12-17-11-14-7-5-6-13(9-14)10-16/h5-7,9,17H,4,8,10-12,16H2,1-3H3
InChIKeyMBOBOVZZFTYPPH-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 106140086
N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine
CID 115213105
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103699421
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110763
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
3-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzoic acid
CID 114150242
[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
CID 115213024
2-[2-[3-(aminomethyl)phenyl]ethyl]-2-propylpentanal
CID 143800079
N-[(4-chlorophenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204388

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine (CID 115213095) is N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine is CCCC(C)(C)CNCc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine?
The InChIKey is MBOBOVZZFTYPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-8-15(2,3)12-17-11-14-7-5-6-13(9-14)10-16/h5-7,9,17H,4,8,10-12,16H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine?
N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 115213095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).