N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

C19H31NO — CID 107428628

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCOc1ccc([C@@H](C)NC2CCCC(CC(C)C)C2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)12-16-6-5-7-18(13-16)20-15(3)17-8-10-19(21-4)11-9-17/h8-11,14-16,18,20H,5-7,12-13H2,1-4H3/t15-,16?,18?/m1/s1
InChIKeyYBWAXTIRZAMQKI-KLHKWILBSA-N
MW289.46 g/mol
LogP4.95
Rot. Bonds6

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428628) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428628
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCOc1ccc([C@@H](C)NC2CCCC(CC(C)C)C2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)12-16-6-5-7-18(13-16)20-15(3)17-8-10-19(21-4)11-9-17/h8-11,14-16,18,20H,5-7,12-13H2,1-4H3/t15-,16?,18?/m1/s1
InChIKeyYBWAXTIRZAMQKI-KLHKWILBSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428628) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is COc1ccc([C@@H](C)NC2CCCC(CC(C)C)C2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is YBWAXTIRZAMQKI-KLHKWILBSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)12-16-6-5-7-18(13-16)20-15(3)17-8-10-19(21-4)11-9-17/h8-11,14-16,18,20H,5-7,12-13H2,1-4H3/t15-,16?,18?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).