N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine

C18H27NO — CID 82937261

IUPACN-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
SMILESCOc1cccc(C(CNC2CC2)C2CCCCC2)c1
InChIInChI=1S/C18H27NO/c1-20-17-9-5-8-15(12-17)18(13-19-16-10-11-16)14-6-3-2-4-7-14/h5,8-9,12,14,16,18-19H,2-4,6-7,10-11,13H2,1H3
InChIKeyPBTGVSWBXJVMOU-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds6

About N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine

N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine (PubChem CID 82937261) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
PubChem CID82937261
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
SMILESCOc1cccc(C(CNC2CC2)C2CCCCC2)c1
InChIInChI=1S/C18H27NO/c1-20-17-9-5-8-15(12-17)18(13-19-16-10-11-16)14-6-3-2-4-7-14/h5,8-9,12,14,16,18-19H,2-4,6-7,10-11,13H2,1H3
InChIKeyPBTGVSWBXJVMOU-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177820
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
(1S,5S)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304186
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304184
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686740

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine (CID 82937261) is N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine is COc1cccc(C(CNC2CC2)C2CCCCC2)c1.
What is the InChIKey of N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine?
The InChIKey is PBTGVSWBXJVMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-20-17-9-5-8-15(12-17)18(13-19-16-10-11-16)14-6-3-2-4-7-14/h5,8-9,12,14,16,18-19H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine?
N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 82937261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).