2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine

C15H23ClN2 — CID 114075960

IUPAC2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCc1cc(Cl)ccc1C1C(N)CCN1CC(C)C
InChIInChI=1S/C15H23ClN2/c1-10(2)9-18-7-6-14(17)15(18)13-5-4-12(16)8-11(13)3/h4-5,8,10,14-15H,6-7,9,17H2,1-3H3
InChIKeyYBQGGQQJQJHQTM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine

2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine (PubChem CID 114075960) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
PubChem CID114075960
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCc1cc(Cl)ccc1C1C(N)CCN1CC(C)C
InChIInChI=1S/C15H23ClN2/c1-10(2)9-18-7-6-14(17)15(18)13-5-4-12(16)8-11(13)3/h4-5,8,10,14-15H,6-7,9,17H2,1-3H3
InChIKeyYBQGGQQJQJHQTM-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
CID 114075962
2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 114454821
2-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)azepan-3-amine
CID 81159300
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine
CID 79978225
2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 83094419
4-(4-chloro-2-methylphenyl)cyclohexan-1-amine
CID 134447858
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 114866692
6-amino-7-(3-chloro-4-methylphenyl)-1-(2-methylpropyl)azepan-2-one
CID 106818668
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
CID 58915244

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine (CID 114075960) is 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine is Cc1cc(Cl)ccc1C1C(N)CCN1CC(C)C.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The InChIKey is YBQGGQQJQJHQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10(2)9-18-7-6-14(17)15(18)13-5-4-12(16)8-11(13)3/h4-5,8,10,14-15H,6-7,9,17H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine?
2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine has a molecular weight of 266.82 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 114075960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).