N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine

C19H31NO — CID 64728649

IUPACN-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COC1CC(C)CC(C)C1
InChIInChI=1S/C19H31NO/c1-4-9-20-13-17-7-5-6-8-18(17)14-21-19-11-15(2)10-16(3)12-19/h5-8,15-16,19-20H,4,9-14H2,1-3H3
InChIKeyJQVMQCFFVIQULB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds7

About N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine

N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 64728649) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
PubChem CID64728649
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COC1CC(C)CC(C)C1
InChIInChI=1S/C19H31NO/c1-4-9-20-13-17-7-5-6-8-18(17)14-21-19-11-15(2)10-16(3)12-19/h5-8,15-16,19-20H,4,9-14H2,1-3H3
InChIKeyJQVMQCFFVIQULB-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.53
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-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]boronic acid
CID 64729414
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
2-[(3,5-dimethylcyclohexyl)oxymethyl]benzenecarbothioamide
CID 64728595
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine
CID 107114159
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-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62455464

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine (CID 64728649) is N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1COC1CC(C)CC(C)C1.
What is the InChIKey of N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is JQVMQCFFVIQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-9-20-13-17-7-5-6-8-18(17)14-21-19-11-15(2)10-16(3)12-19/h5-8,15-16,19-20H,4,9-14H2,1-3H3.
What are the key properties of N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 64728649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).