(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride

C21H28ClNO2 — CID 171213011

IUPAC(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCCCC2)cc1OCc1ccccc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-23-19-13-12-18(21(22)17-10-6-3-7-11-17)14-20(19)24-15-16-8-4-2-5-9-16;/h2,4-5,8-9,12-14,17,21H,3,6-7,10-11,15,22H2,1H3;1H/t21-;/m1./s1
InChIKeyIQVVNCFWLYTSEA-ZMBIFBSDSA-N
MW361.91 g/mol
LogP5.28
Rot. Bonds6

About (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride

(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 171213011) has the molecular formula C21H28ClNO2 and a molecular weight of 361.91 g/mol. Its IUPAC name is (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID171213011
Molecular FormulaC21H28ClNO2
Molecular Weight361.91 g/mol
Exact Mass361.18
IUPAC Name(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCCCC2)cc1OCc1ccccc1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-23-19-13-12-18(21(22)17-10-6-3-7-11-17)14-20(19)24-15-16-8-4-2-5-9-16;/h2,4-5,8-9,12-14,17,21H,3,6-7,10-11,15,22H2,1H3;1H/t21-;/m1./s1
InChIKeyIQVVNCFWLYTSEA-ZMBIFBSDSA-N
XLogP5.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.91
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
(1S,2R)-2-amino-1-cyclopentyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171264858
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314543
(S)-cyclopropyl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171233983
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(S)-cyclobutyl-(3,5-dimethyl-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171234044

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride (CID 171213011) is (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride is COc1ccc([C@H](N)C2CCCCC2)cc1OCc1ccccc1.Cl.
What is the InChIKey of (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is IQVVNCFWLYTSEA-ZMBIFBSDSA-N. The full InChI is InChI=1S/C21H27NO2.ClH/c1-23-19-13-12-18(21(22)17-10-6-3-7-11-17)14-20(19)24-15-16-8-4-2-5-9-16;/h2,4-5,8-9,12-14,17,21H,3,6-7,10-11,15,22H2,1H3;1H/t21-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride?
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171213011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).