1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea

C16H25N3O — CID 61468180

IUPAC1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
SMILESCCC1CCCCC1NC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-2-13-7-3-4-9-15(13)19-16(20)18-14-8-5-6-12(10-14)11-17/h5-6,8,10,13,15H,2-4,7,9,11,17H2,1H3,(H2,18,19,20)
InChIKeyUYIOXDJMWKTQGS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea

1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea (PubChem CID 61468180) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
PubChem CID61468180
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
SMILESCCC1CCCCC1NC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-2-13-7-3-4-9-15(13)19-16(20)18-14-8-5-6-12(10-14)11-17/h5-6,8,10,13,15H,2-4,7,9,11,17H2,1H3,(H2,18,19,20)
InChIKeyUYIOXDJMWKTQGS-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
CID 64732542
1-[3-(aminomethyl)phenyl]-3-(3,4-dimethylcyclohexyl)urea
CID 64743523
1-[3-[ethyl(methyl)amino]phenyl]-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 129378352
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea
CID 114120074
1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
CID 60916116
(E)-N-[2-[2-[3-(aminomethyl)anilino]-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)prop-2-enamide
CID 142114290
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106016510
1-(3-methoxyphenyl)-3-[(1R,2R)-2-(sulfanylmethoxymethyl)cyclohexyl]urea
CID 59041101
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea (CID 61468180) is 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea is CCC1CCCCC1NC(=O)Nc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea?
The InChIKey is UYIOXDJMWKTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-13-7-3-4-9-15(13)19-16(20)18-14-8-5-6-12(10-14)11-17/h5-6,8,10,13,15H,2-4,7,9,11,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea?
1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea is sourced from PubChem (CID 61468180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).