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

C16H25N3O — CID 60916116

IUPAC1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
SMILESNCc1cccc(NC(=O)NCCC2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c17-12-14-7-4-8-15(11-14)19-16(20)18-10-9-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,17H2,(H2,18,19,20)
InChIKeyXRCPKASLLXELMS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.24
Rot. Bonds5

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

1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea (PubChem CID 60916116) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
PubChem CID60916116
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
SMILESNCc1cccc(NC(=O)NCCC2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c17-12-14-7-4-8-15(11-14)19-16(20)18-10-9-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,17H2,(H2,18,19,20)
InChIKeyXRCPKASLLXELMS-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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

1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106016510
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-[3-(aminomethyl)phenyl]-3-(5,5,5-trifluoropentyl)urea
CID 115521151
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
CID 61341143
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
CID 61468180
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea (CID 60916116) is 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea is NCc1cccc(NC(=O)NCCC2CCCCC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea?
The InChIKey is XRCPKASLLXELMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-12-14-7-4-8-15(11-14)19-16(20)18-10-9-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,17H2,(H2,18,19,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea?
1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.24, 5 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-cyclohexylethyl)urea is sourced from PubChem (CID 60916116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).