1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea

C15H23N3O — CID 54936547

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
SMILESNCc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c16-10-12-6-8-13(9-7-12)11-17-15(19)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,16H2,(H2,17,18,19)
InChIKeyWAYXYUJBYYYEDH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.28
Rot. Bonds4

About 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea

1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea (PubChem CID 54936547) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
PubChem CID54936547
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
SMILESNCc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c16-10-12-6-8-13(9-7-12)11-17-15(19)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,16H2,(H2,17,18,19)
InChIKeyWAYXYUJBYYYEDH-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
CID 110775362
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea
CID 119304281

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea (CID 54936547) is 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea is NCc1ccc(CNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea?
The InChIKey is WAYXYUJBYYYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-10-12-6-8-13(9-7-12)11-17-15(19)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,16H2,(H2,17,18,19).
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea?
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea has a molecular weight of 261.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea is sourced from PubChem (CID 54936547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).