1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine

C18H27NO — CID 117436696

IUPAC1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2(C(C)N)CC2)cc1C1CCCCC1
InChIInChI=1S/C18H27NO/c1-13(19)18(10-11-18)15-8-9-17(20-2)16(12-15)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11,19H2,1-2H3
InChIKeyPJVALFGZSRZKKM-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.12
Rot. Bonds4

About 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine

1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117436696) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID117436696
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2(C(C)N)CC2)cc1C1CCCCC1
InChIInChI=1S/C18H27NO/c1-13(19)18(10-11-18)15-8-9-17(20-2)16(12-15)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11,19H2,1-2H3
InChIKeyPJVALFGZSRZKKM-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
CID 117397248
1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261
3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine
CID 117408772
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine (CID 117436696) is 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine is COc1ccc(C2(C(C)N)CC2)cc1C1CCCCC1.
What is the InChIKey of 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is PJVALFGZSRZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(19)18(10-11-18)15-8-9-17(20-2)16(12-15)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11,19H2,1-2H3.
What are the key properties of 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine?
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117436696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).