[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine

C18H27NO — CID 117436679

IUPAC[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
SMILESCOc1ccc(C2(CN)CC2)cc1C1CCC(C)CC1
InChIInChI=1S/C18H27NO/c1-13-3-5-14(6-4-13)16-11-15(7-8-17(16)20-2)18(12-19)9-10-18/h7-8,11,13-14H,3-6,9-10,12,19H2,1-2H3
InChIKeyALEXJCFDTVJTBM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.98
Rot. Bonds4

About [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine

[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine (PubChem CID 117436679) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
PubChem CID117436679
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
SMILESCOc1ccc(C2(CN)CC2)cc1C1CCC(C)CC1
InChIInChI=1S/C18H27NO/c1-13-3-5-14(6-4-13)16-11-15(7-8-17(16)20-2)18(12-19)9-10-18/h7-8,11,13-14H,3-6,9-10,12,19H2,1-2H3
InChIKeyALEXJCFDTVJTBM-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine (CID 117436679) is [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine is COc1ccc(C2(CN)CC2)cc1C1CCC(C)CC1.
What is the InChIKey of [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine?
The InChIKey is ALEXJCFDTVJTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-3-5-14(6-4-13)16-11-15(7-8-17(16)20-2)18(12-19)9-10-18/h7-8,11,13-14H,3-6,9-10,12,19H2,1-2H3.
What are the key properties of [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine?
[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117436679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).