N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine

C15H26N2 — CID 81321976

IUPACN-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCc1ccccc1CN
InChIInChI=1S/C15H26N2/c1-13(2)8-10-17(3)11-9-14-6-4-5-7-15(14)12-16/h4-7,13H,8-12,16H2,1-3H3
InChIKeyFOHZVINNDQVWMO-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.67
Rot. Bonds7

About N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine

N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine (PubChem CID 81321976) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine
PubChem CID81321976
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCc1ccccc1CN
InChIInChI=1S/C15H26N2/c1-13(2)8-10-17(3)11-9-14-6-4-5-7-15(14)12-16/h4-7,13H,8-12,16H2,1-3H3
InChIKeyFOHZVINNDQVWMO-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 173326782
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 81313613
2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine
CID 81322135
1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 81322117
N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 60922084
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 62624662

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine (CID 81321976) is N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CCc1ccccc1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine?
The InChIKey is FOHZVINNDQVWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)8-10-17(3)11-9-14-6-4-5-7-15(14)12-16/h4-7,13H,8-12,16H2,1-3H3.
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine?
N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 81321976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).