N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine

C18H29NO — CID 62445478

IUPACN-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COC1CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-3-12-19-13-16-6-4-5-7-17(16)14-20-18-10-8-15(2)9-11-18/h4-7,15,18-19H,3,8-14H2,1-2H3
InChIKeyJYBMSMOSPFYOPW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.28
Rot. Bonds7

About N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine

N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 62445478) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
PubChem CID62445478
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COC1CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-3-12-19-13-16-6-4-5-7-17(16)14-20-18-10-8-15(2)9-11-18/h4-7,15,18-19H,3,8-14H2,1-2H3
InChIKeyJYBMSMOSPFYOPW-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464530
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446230
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine
CID 62484744
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine (CID 62445478) is N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1COC1CCC(C)CC1.
What is the InChIKey of N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is JYBMSMOSPFYOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-12-19-13-16-6-4-5-7-17(16)14-20-18-10-8-15(2)9-11-18/h4-7,15,18-19H,3,8-14H2,1-2H3.
What are the key properties of N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62445478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).