1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea

C15H23N3O — CID 117408462

IUPAC1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
SMILESCN(C(N)=O)c1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-18(14(17)19)13-7-5-6-12(10-13)15(11-16)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11,16H2,1H3,(H2,17,19)
InChIKeyOYTJBSGCOVMMOI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds3

About 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea

1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea (PubChem CID 117408462) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
PubChem CID117408462
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
SMILESCN(C(N)=O)c1cccc(C2(CN)CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-18(14(17)19)13-7-5-6-12(10-13)15(11-16)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11,16H2,1H3,(H2,17,19)
InChIKeyOYTJBSGCOVMMOI-UHFFFAOYSA-N
XLogP2.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
1-[3-[carbamoyl(methyl)amino]phenyl]cyclopentane-1-carboxylic acid
CID 117410310
[3-[1-(aminomethyl)cyclopentyl]phenyl]urea
CID 117338851
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 104678092
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117113421

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea?
The IUPAC name of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea (CID 117408462) is 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea.
What is the SMILES notation for 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea?
The canonical SMILES for 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea is CN(C(N)=O)c1cccc(C2(CN)CCCCC2)c1.
What is the InChIKey of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea?
The InChIKey is OYTJBSGCOVMMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(14(17)19)13-7-5-6-12(10-13)15(11-16)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11,16H2,1H3,(H2,17,19).
What are the key properties of 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea?
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea has a molecular weight of 261.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea is sourced from PubChem (CID 117408462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).