(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine

C15H22ClNO2 — CID 171202015

IUPAC(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
SMILESCOc1ccc([C@H](N)C2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-18-12-9-8-11(13(16)15(12)19-2)14(17)10-6-4-3-5-7-10/h8-10,14H,3-7,17H2,1-2H3/t14-/m1/s1
InChIKeyBPLAEPOBOANGJE-CQSZACIVSA-N
MW283.80 g/mol
LogP3.94
Rot. Bonds4

About (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine

(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine (PubChem CID 171202015) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
PubChem CID171202015
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
SMILESCOc1ccc([C@H](N)C2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-18-12-9-8-11(13(16)15(12)19-2)14(17)10-6-4-3-5-7-10/h8-10,14H,3-7,17H2,1-2H3/t14-/m1/s1
InChIKeyBPLAEPOBOANGJE-CQSZACIVSA-N
XLogP3.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171267308
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261620
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171261616
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
CID 171267302
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(1S,2R)-2-amino-1-cyclohexyl-2-(2,3,4-trimethoxyphenyl)ethanol;hydrochloride
CID 171160903
1-[chloro(cyclopentyl)methyl]-2,3,4-trimethoxybenzene
CID 61084262

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine?
The IUPAC name of (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine (CID 171202015) is (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine?
The canonical SMILES for (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine is COc1ccc([C@H](N)C2CCCCC2)c(Cl)c1OC.
What is the InChIKey of (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine?
The InChIKey is BPLAEPOBOANGJE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-18-12-9-8-11(13(16)15(12)19-2)14(17)10-6-4-3-5-7-10/h8-10,14H,3-7,17H2,1-2H3/t14-/m1/s1.
What are the key properties of (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine?
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 171202015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).