(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine

C15H19F3N2 — CID 141332995

IUPAC(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCC(C[C@H]1C=C(N)NC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2/c1-2-11(7-10-8-14(19)20-9-10)12-3-5-13(6-4-12)15(16,17)18/h3-6,8,10-11,20H,2,7,9,19H2,1H3/t10-,11?/m0/s1
InChIKeyYVRDNZRZZYWQQS-VUWPPUDQSA-N
MW284.33 g/mol
LogP3.61
Rot. Bonds4

About (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141332995) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141332995
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCC(C[C@H]1C=C(N)NC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2/c1-2-11(7-10-8-14(19)20-9-10)12-3-5-13(6-4-12)15(16,17)18/h3-6,8,10-11,20H,2,7,9,19H2,1H3/t10-,11?/m0/s1
InChIKeyYVRDNZRZZYWQQS-VUWPPUDQSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253071
(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253180
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole
CID 177016254
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
CID 171192056
2-[4-(trifluoromethyl)phenyl]butanenitrile
CID 66855883

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141332995) is (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine is CCC(C[C@H]1C=C(N)NC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is YVRDNZRZZYWQQS-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-2-11(7-10-8-14(19)20-9-10)12-3-5-13(6-4-12)15(16,17)18/h3-6,8,10-11,20H,2,7,9,19H2,1H3/t10-,11?/m0/s1.
What are the key properties of (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 284.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141332995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).