(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine

C17H26ClNO2 — CID 81388553

IUPAC(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
SMILESCOc1ccc(CN[C@H](C)C2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C17H26ClNO2/c1-12(13-7-5-4-6-8-13)19-11-14-9-10-15(20-2)17(21-3)16(14)18/h9-10,12-13,19H,4-8,11H2,1-3H3/t12-/m1/s1
InChIKeyXICNCSRWEGJOFA-GFCCVEGCSA-N
MW311.85 g/mol
LogP4.42
Rot. Bonds6

About (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine

(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine (PubChem CID 81388553) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
PubChem CID81388553
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
SMILESCOc1ccc(CN[C@H](C)C2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C17H26ClNO2/c1-12(13-7-5-4-6-8-13)19-11-14-9-10-15(20-2)17(21-3)16(14)18/h9-10,12-13,19H,4-8,11H2,1-3H3/t12-/m1/s1
InChIKeyXICNCSRWEGJOFA-GFCCVEGCSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
CID 63627273
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine?
The IUPAC name of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine (CID 81388553) is (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine is COc1ccc(CN[C@H](C)C2CCCCC2)c(Cl)c1OC.
What is the InChIKey of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine?
The InChIKey is XICNCSRWEGJOFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-12(13-7-5-4-6-8-13)19-11-14-9-10-15(20-2)17(21-3)16(14)18/h9-10,12-13,19H,4-8,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine?
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine has a molecular weight of 311.85 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81388553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).