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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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).