[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid

C16H24N2O2 — CID 68520941

IUPAC[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(CNCC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c19-16(20)18-12-15-8-4-7-14(9-15)11-17-10-13-5-2-1-3-6-13/h4,7-9,13,17-18H,1-3,5-6,10-12H2,(H,19,20)
InChIKeyMYMSIZRPTAVTFD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.12
Rot. Bonds6

About [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid

[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid (PubChem CID 68520941) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid
PubChem CID68520941
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(CNCC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c19-16(20)18-12-15-8-4-7-14(9-15)11-17-10-13-5-2-1-3-6-13/h4,7-9,13,17-18H,1-3,5-6,10-12H2,(H,19,20)
InChIKeyMYMSIZRPTAVTFD-UHFFFAOYSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
4-[(cyclohexylmethylamino)methyl]-2-fluorobenzoic acid
CID 106699700
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529

Frequently Asked Questions

What is the IUPAC name of [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid?
The IUPAC name of [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid (CID 68520941) is [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid.
What is the SMILES notation for [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid?
The canonical SMILES for [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid is O=C(O)NCc1cccc(CNCC2CCCCC2)c1.
What is the InChIKey of [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid?
The InChIKey is MYMSIZRPTAVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16(20)18-12-15-8-4-7-14(9-15)11-17-10-13-5-2-1-3-6-13/h4,7-9,13,17-18H,1-3,5-6,10-12H2,(H,19,20).
What are the key properties of [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid?
[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid has a molecular weight of 276.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid is sourced from PubChem (CID 68520941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).