3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine

C13H17Cl2N — CID 116538677

IUPAC3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1(Cc2ccc(Cl)c(Cl)c2)CCC(N)C1
InChIInChI=1S/C13H17Cl2N/c1-13(5-4-10(16)8-13)7-9-2-3-11(14)12(15)6-9/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeyBMDHLPZBCFPAKV-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.05
Rot. Bonds2

About 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine

3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 116538677) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID116538677
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1(Cc2ccc(Cl)c(Cl)c2)CCC(N)C1
InChIInChI=1S/C13H17Cl2N/c1-13(5-4-10(16)8-13)7-9-2-3-11(14)12(15)6-9/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeyBMDHLPZBCFPAKV-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 103041673
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine
CID 116538767
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-one
CID 116538466
1-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65401049
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834366
1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 63408298
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 116538698
4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine
CID 116540192
1-[(3,4-dichlorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407520

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine (CID 116538677) is 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine is CC1(Cc2ccc(Cl)c(Cl)c2)CCC(N)C1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is BMDHLPZBCFPAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-13(5-4-10(16)8-13)7-9-2-3-11(14)12(15)6-9/h2-3,6,10H,4-5,7-8,16H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine?
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116538677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).