1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine

C19H31NO — CID 63414368

IUPAC1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOc1ccccc1)CC1CCCCC1
InChIInChI=1S/C19H31NO/c1-2-14-20-18(16-17-9-5-3-6-10-17)13-15-21-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20H,2-3,5-6,9-10,13-16H2,1H3
InChIKeyWADRGAVGJHOTAT-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.79
Rot. Bonds9

About 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine

1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine (PubChem CID 63414368) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
PubChem CID63414368
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOc1ccccc1)CC1CCCCC1
InChIInChI=1S/C19H31NO/c1-2-14-20-18(16-17-9-5-3-6-10-17)13-15-21-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20H,2-3,5-6,9-10,13-16H2,1H3
InChIKeyWADRGAVGJHOTAT-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-phenoxy-N-propylnonan-3-amine
CID 63414499
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
CID 64568024
1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
CID 62716713
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine (CID 63414368) is 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine is CCCNC(CCOc1ccccc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine?
The InChIKey is WADRGAVGJHOTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-14-20-18(16-17-9-5-3-6-10-17)13-15-21-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20H,2-3,5-6,9-10,13-16H2,1H3.
What are the key properties of 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine?
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine is sourced from PubChem (CID 63414368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).