(3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine

C14H17ClN2 — CID 141332830

IUPAC(3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=C[C@H](CC2(c3ccc(Cl)cc3)CC2)CN1
InChIInChI=1S/C14H17ClN2/c15-12-3-1-11(2-4-12)14(5-6-14)8-10-7-13(16)17-9-10/h1-4,7,10,17H,5-6,8-9,16H2/t10-/m1/s1
InChIKeyRSZPUQYPDWOJOB-SNVBAGLBSA-N
MW248.76 g/mol
LogP2.78
Rot. Bonds3

About (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141332830) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141332830
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name(3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=C[C@H](CC2(c3ccc(Cl)cc3)CC2)CN1
InChIInChI=1S/C14H17ClN2/c15-12-3-1-11(2-4-12)14(5-6-14)8-10-7-13(16)17-9-10/h1-4,7,10,17H,5-6,8-9,16H2/t10-/m1/s1
InChIKeyRSZPUQYPDWOJOB-SNVBAGLBSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141332830) is (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine is NC1=C[C@H](CC2(c3ccc(Cl)cc3)CC2)CN1.
What is the InChIKey of (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is RSZPUQYPDWOJOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-12-3-1-11(2-4-12)14(5-6-14)8-10-7-13(16)17-9-10/h1-4,7,10,17H,5-6,8-9,16H2/t10-/m1/s1.
What are the key properties of (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 248.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141332830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).