N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine

C18H29NO — CID 62456835

IUPACN-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
SMILESCC1CCCC(OCc2ccc(CNC(C)C)cc2)C1
InChIInChI=1S/C18H29NO/c1-14(2)19-12-16-7-9-17(10-8-16)13-20-18-6-4-5-15(3)11-18/h7-10,14-15,18-19H,4-6,11-13H2,1-3H3
InChIKeyJVIGQQUFHPGGLE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.28
Rot. Bonds6

About N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine

N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 62456835) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
PubChem CID62456835
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
SMILESCC1CCCC(OCc2ccc(CNC(C)C)cc2)C1
InChIInChI=1S/C18H29NO/c1-14(2)19-12-16-7-9-17(10-8-16)13-20-18-6-4-5-15(3)11-18/h7-10,14-15,18-19H,4-6,11-13H2,1-3H3
InChIKeyJVIGQQUFHPGGLE-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine 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-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 105349825
trimethyl-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]silane
CID 103438651
N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63551559
N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 55077909
1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
N-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55077959
2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105350983
[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 62455722

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine (CID 62456835) is N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine is CC1CCCC(OCc2ccc(CNC(C)C)cc2)C1.
What is the InChIKey of N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine?
The InChIKey is JVIGQQUFHPGGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)19-12-16-7-9-17(10-8-16)13-20-18-6-4-5-15(3)11-18/h7-10,14-15,18-19H,4-6,11-13H2,1-3H3.
What are the key properties of N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine?
N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62456835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).