N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

C15H22ClNO3 — CID 103081610

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOc1cc(CNC2CCC(OC)C2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-18-12-5-4-11(8-12)17-9-10-6-13(16)15(20-3)14(7-10)19-2/h6-7,11-12,17H,4-5,8-9H2,1-3H3
InChIKeyBXLVWUXLHJVJIW-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.01
Rot. Bonds6

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine (PubChem CID 103081610) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
PubChem CID103081610
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOc1cc(CNC2CCC(OC)C2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-18-12-5-4-11(8-12)17-9-10-6-13(16)15(20-3)14(7-10)19-2/h6-7,11-12,17H,4-5,8-9H2,1-3H3
InChIKeyBXLVWUXLHJVJIW-UHFFFAOYSA-N
XLogP3.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
(2R,4aS,8aR)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 11945324
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357920
N-[[3-chloro-4-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878743
N-[[4-[(E)-but-2-enoxy]-3-chloro-5-methoxyphenyl]methyl]cyclopropanamine
CID 60878931
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine (CID 103081610) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine is COc1cc(CNC2CCC(OC)C2)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The InChIKey is BXLVWUXLHJVJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-18-12-5-4-11(8-12)17-9-10-6-13(16)15(20-3)14(7-10)19-2/h6-7,11-12,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine has a molecular weight of 299.80 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103081610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).