1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine

C18H29NO — CID 60798313

IUPAC1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-2-14-19-18(16-9-5-3-6-10-16)13-15-20-17-11-7-4-8-12-17/h4,7-8,11-12,16,18-19H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyVOJWOSLTODTHKS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.40
Rot. Bonds8

About 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine

1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine (PubChem CID 60798313) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
PubChem CID60798313
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-2-14-19-18(16-9-5-3-6-10-16)13-15-20-17-11-7-4-8-12-17/h4,7-8,11-12,16,18-19H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyVOJWOSLTODTHKS-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 55155916
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 112569843
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
1-phenoxy-N-propylnonan-3-amine
CID 63414499
1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine
CID 104744455

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine?
The IUPAC name of 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine (CID 60798313) is 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine is CCCNC(CCOc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine?
The InChIKey is VOJWOSLTODTHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-14-19-18(16-9-5-3-6-10-16)13-15-20-17-11-7-4-8-12-17/h4,7-8,11-12,16,18-19H,2-3,5-6,9-10,13-15H2,1H3.
What are the key properties of 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine?
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine is sourced from PubChem (CID 60798313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).