1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea

C16H25N3O — CID 64732542

IUPAC1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
SMILESCC1CC(C)CC(NC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C16H25N3O/c1-11-6-12(2)8-15(7-11)19-16(20)18-14-5-3-4-13(9-14)10-17/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3,(H2,18,19,20)
InChIKeyXDOIXKPHJKOPDV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.09
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea

1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea (PubChem CID 64732542) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
PubChem CID64732542
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
SMILESCC1CC(C)CC(NC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C16H25N3O/c1-11-6-12(2)8-15(7-11)19-16(20)18-14-5-3-4-13(9-14)10-17/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3,(H2,18,19,20)
InChIKeyXDOIXKPHJKOPDV-UHFFFAOYSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(3-methoxycyclobutyl)urea
CID 114120074
1-[3-(aminomethyl)phenyl]-3-(3,4-dimethylcyclohexyl)urea
CID 64743523
1-[3-(1-aminoethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
CID 64732162
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
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1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
CID 61468180
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea (CID 64732542) is 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea is CC1CC(C)CC(NC(=O)Nc2cccc(CN)c2)C1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea?
The InChIKey is XDOIXKPHJKOPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-12(2)8-15(7-11)19-16(20)18-14-5-3-4-13(9-14)10-17/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea?
1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.09, 3 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-(3,5-dimethylcyclohexyl)urea is sourced from PubChem (CID 64732542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).