N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine

C13H23N3 — CID 22693574

IUPACN-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(CN)cc1
InChIInChI=1S/C13H23N3/c1-3-16(4-2)10-9-15-13-7-5-12(11-14)6-8-13/h5-8,15H,3-4,9-11,14H2,1-2H3
InChIKeyKYRDQNYXXAQEQT-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.90
Rot. Bonds7

About N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine

N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 22693574) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
PubChem CID22693574
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(CN)cc1
InChIInChI=1S/C13H23N3/c1-3-16(4-2)10-9-15-13-7-5-12(11-14)6-8-13/h5-8,15H,3-4,9-11,14H2,1-2H3
InChIKeyKYRDQNYXXAQEQT-UHFFFAOYSA-N
XLogP1.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 22693559
N-[4-(2-chloroethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 107913689
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
CID 84677883
N'-[4-(diethylaminomethyl)phenyl]hexane-1,6-diamine
CID 83961023
N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
CID 3069986
3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate
CID 10448709
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
CID 63502514
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28574811

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine (CID 22693574) is N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is KYRDQNYXXAQEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-16(4-2)10-9-15-13-7-5-12(11-14)6-8-13/h5-8,15H,3-4,9-11,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine?
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 22693574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).