N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine

C19H31NO — CID 81026864

IUPACN-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1CCCOc1ccccc1
InChIInChI=1S/C19H31NO/c1-2-14-20-16-18-10-7-6-9-17(18)11-8-15-21-19-12-4-3-5-13-19/h3-5,12-13,17-18,20H,2,6-11,14-16H2,1H3
InChIKeyMMVKPWUABVCUAM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.65
Rot. Bonds9

About N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine

N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81026864) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81026864
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1CCCOc1ccccc1
InChIInChI=1S/C19H31NO/c1-2-14-20-16-18-10-7-6-9-17(18)11-8-15-21-19-12-4-3-5-13-19/h3-5,12-13,17-18,20H,2,6-11,14-16H2,1H3
InChIKeyMMVKPWUABVCUAM-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.65
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

2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 81027435
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-chlorocyclohexyl)methyl]-3-phenoxypropan-1-amine
CID 65024952
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
CID 57301084
1-[3-(2-pentylcyclohexyl)propoxy]-4-propoxybenzene
CID 57258842
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine (CID 81026864) is N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1CCCOc1ccccc1.
What is the InChIKey of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is MMVKPWUABVCUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-14-20-16-18-10-7-6-9-17(18)11-8-15-21-19-12-4-3-5-13-19/h3-5,12-13,17-18,20H,2,6-11,14-16H2,1H3.
What are the key properties of N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).