N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine

C19H31NO — CID 63474271

IUPACN-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C)c2ccccc2)CCCC(C)C1
InChIInChI=1S/C19H31NO/c1-4-13-20-15-19(12-8-9-16(2)14-19)21-17(3)18-10-6-5-7-11-18/h5-7,10-11,16-17,20H,4,8-9,12-15H2,1-3H3
InChIKeyGICYBWDSOXCRGP-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.71
Rot. Bonds7

About N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine

N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine (PubChem CID 63474271) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine
PubChem CID63474271
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C)c2ccccc2)CCCC(C)C1
InChIInChI=1S/C19H31NO/c1-4-13-20-15-19(12-8-9-16(2)14-19)21-17(3)18-10-6-5-7-11-18/h5-7,10-11,16-17,20H,4,8-9,12-15H2,1-3H3
InChIKeyGICYBWDSOXCRGP-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 65124692
N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107393
N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
CID 63473773
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine (CID 63474271) is N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine is CCCNCC1(OC(C)c2ccccc2)CCCC(C)C1.
What is the InChIKey of N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine?
The InChIKey is GICYBWDSOXCRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20-15-19(12-8-9-16(2)14-19)21-17(3)18-10-6-5-7-11-18/h5-7,10-11,16-17,20H,4,8-9,12-15H2,1-3H3.
What are the key properties of N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine?
N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63474271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).