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

C14H19ClN2 — CID 141332997

IUPAC(3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCC(C[C@H]1C=C(N)NC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2/c1-2-11(6-10-7-14(16)17-9-10)12-4-3-5-13(15)8-12/h3-5,7-8,10-11,17H,2,6,9,16H2,1H3/t10-,11?/m0/s1
InChIKeyVGZQUQIUDUEAOG-VUWPPUDQSA-N
MW250.77 g/mol
LogP3.24
Rot. Bonds4

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

(3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141332997) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141332997
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name(3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCC(C[C@H]1C=C(N)NC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2/c1-2-11(6-10-7-14(16)17-9-10)12-4-3-5-13(15)8-12/h3-5,7-8,10-11,17H,2,6,9,16H2,1H3/t10-,11?/m0/s1
InChIKeyVGZQUQIUDUEAOG-VUWPPUDQSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253180
(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141332995
5-(3-chlorophenyl)nonane-3,7-diamine
CID 170889684
3-(3-chlorophenyl)pentanenitrile
CID 83685399
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine
CID 127013676
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
CID 61210694

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141332997) is (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine is CCC(C[C@H]1C=C(N)NC1)c1cccc(Cl)c1.
What is the InChIKey of (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is VGZQUQIUDUEAOG-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-2-11(6-10-7-14(16)17-9-10)12-4-3-5-13(15)8-12/h3-5,7-8,10-11,17H,2,6,9,16H2,1H3/t10-,11?/m0/s1.
What are the key properties of (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 250.77 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141332997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).