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

C16H24ClNO2 — CID 81394276

IUPAC(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
SMILESCOc1ccc(CN[C@H](C)C2CCCC2)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-11(12-6-4-5-7-12)18-10-13-8-9-14(19-2)16(20-3)15(13)17/h8-9,11-12,18H,4-7,10H2,1-3H3/t11-/m1/s1
InChIKeyPUEIMFAZPRIGIG-LLVKDONJSA-N
MW297.83 g/mol
LogP4.03
Rot. Bonds6

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

(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine (PubChem CID 81394276) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
PubChem CID81394276
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
SMILESCOc1ccc(CN[C@H](C)C2CCCC2)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-11(12-6-4-5-7-12)18-10-13-8-9-14(19-2)16(20-3)15(13)17/h8-9,11-12,18H,4-7,10H2,1-3H3/t11-/m1/s1
InChIKeyPUEIMFAZPRIGIG-LLVKDONJSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81388553
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
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
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine?
The IUPAC name of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine (CID 81394276) is (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine is COc1ccc(CN[C@H](C)C2CCCC2)c(Cl)c1OC.
What is the InChIKey of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine?
The InChIKey is PUEIMFAZPRIGIG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(12-6-4-5-7-12)18-10-13-8-9-14(19-2)16(20-3)15(13)17/h8-9,11-12,18H,4-7,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine?
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine has a molecular weight of 297.83 g/mol, XLogP of 4.03, 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-cyclopentylethanamine is sourced from PubChem (CID 81394276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).