N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine

C18H29NO — CID 116763351

IUPACN-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)C1(OC)CCCCC1
InChIInChI=1S/C18H29NO/c1-3-14-19-17(15-16-10-6-4-7-11-16)18(20-2)12-8-5-9-13-18/h4,6-7,10-11,17,19H,3,5,8-9,12-15H2,1-2H3
InChIKeyANKVJEFPKFXGJI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.95
Rot. Bonds7

About N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine

N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine (PubChem CID 116763351) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
PubChem CID116763351
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)C1(OC)CCCCC1
InChIInChI=1S/C18H29NO/c1-3-14-19-17(15-16-10-6-4-7-11-16)18(20-2)12-8-5-9-13-18/h4,6-7,10-11,17,19H,3,5,8-9,12-15H2,1-2H3
InChIKeyANKVJEFPKFXGJI-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 116763428
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
CID 105374330
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine (CID 116763351) is N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)C1(OC)CCCCC1.
What is the InChIKey of N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine?
The InChIKey is ANKVJEFPKFXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-14-19-17(15-16-10-6-4-7-11-16)18(20-2)12-8-5-9-13-18/h4,6-7,10-11,17,19H,3,5,8-9,12-15H2,1-2H3.
What are the key properties of N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine?
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 116763351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).