3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea

C15H23N3O2 — CID 102633134

IUPAC3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
SMILESCN(C(=O)Nc1cccc(CN)c1)C1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-18(13-7-2-3-8-14(13)19)15(20)17-12-6-4-5-11(9-12)10-16/h4-6,9,13-14,19H,2-3,7-8,10,16H2,1H3,(H,17,20)
InChIKeyOJOMZWHCRSDCIW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.91
Rot. Bonds3

About 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea

3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea (PubChem CID 102633134) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
PubChem CID102633134
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
SMILESCN(C(=O)Nc1cccc(CN)c1)C1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-18(13-7-2-3-8-14(13)19)15(20)17-12-6-4-5-11(9-12)10-16/h4-6,9,13-14,19H,2-3,7-8,10,16H2,1H3,(H,17,20)
InChIKeyOJOMZWHCRSDCIW-UHFFFAOYSA-N
XLogP1.91
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
3-[3-(aminomethyl)phenyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 43649035
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051
4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
CID 102633588
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102631536
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea (CID 102633134) is 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea is CN(C(=O)Nc1cccc(CN)c1)C1CCCCC1O.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea?
The InChIKey is OJOMZWHCRSDCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(13-7-2-3-8-14(13)19)15(20)17-12-6-4-5-11(9-12)10-16/h4-6,9,13-14,19H,2-3,7-8,10,16H2,1H3,(H,17,20).
What are the key properties of 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea?
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea has a molecular weight of 277.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea is sourced from PubChem (CID 102633134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).