3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine

C14H18ClFN2 — CID 144941855

IUPAC3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
SMILESNC1C(c2cccc(Cl)c2F)CCN1CC1CC1
InChIInChI=1S/C14H18ClFN2/c15-12-3-1-2-10(13(12)16)11-6-7-18(14(11)17)8-9-4-5-9/h1-3,9,11,14H,4-8,17H2
InChIKeyPKTXCCBEBZSZCD-UHFFFAOYSA-N
MW268.76 g/mol
LogP2.96
Rot. Bonds3

About 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine

3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine (PubChem CID 144941855) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
PubChem CID144941855
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
SMILESNC1C(c2cccc(Cl)c2F)CCN1CC1CC1
InChIInChI=1S/C14H18ClFN2/c15-12-3-1-2-10(13(12)16)11-6-7-18(14(11)17)8-9-4-5-9/h1-3,9,11,14H,4-8,17H2
InChIKeyPKTXCCBEBZSZCD-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine (CID 144941855) is 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine is NC1C(c2cccc(Cl)c2F)CCN1CC1CC1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine?
The InChIKey is PKTXCCBEBZSZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c15-12-3-1-2-10(13(12)16)11-6-7-18(14(11)17)8-9-4-5-9/h1-3,9,11,14H,4-8,17H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine?
3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine has a molecular weight of 268.76 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine is sourced from PubChem (CID 144941855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).