1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine

C14H20ClNO — CID 117388025

IUPAC1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
SMILESCOc1c(Cl)cc(C)c(C)c1C1(N)CCCC1
InChIInChI=1S/C14H20ClNO/c1-9-8-11(15)13(17-3)12(10(9)2)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyMYQRNRCVEWNFKL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine

1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine (PubChem CID 117388025) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
PubChem CID117388025
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
SMILESCOc1c(Cl)cc(C)c(C)c1C1(N)CCCC1
InChIInChI=1S/C14H20ClNO/c1-9-8-11(15)13(17-3)12(10(9)2)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyMYQRNRCVEWNFKL-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
CID 117448992
1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
CID 117476823
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine (CID 117388025) is 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine is COc1c(Cl)cc(C)c(C)c1C1(N)CCCC1.
What is the InChIKey of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine?
The InChIKey is MYQRNRCVEWNFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-8-11(15)13(17-3)12(10(9)2)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine?
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117388025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).