4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine

C14H18N2 — CID 57150661

IUPAC4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine
SMILESNCCC(Cc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H18N2/c15-9-8-13(14-7-4-10-16-14)11-12-5-2-1-3-6-12/h1-7,10,13,16H,8-9,11,15H2
InChIKeyBXIRGPNMISKSGL-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.69
Rot. Bonds5

About 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine

4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine (PubChem CID 57150661) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine
PubChem CID57150661
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine
SMILESNCCC(Cc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H18N2/c15-9-8-13(14-7-4-10-16-14)11-12-5-2-1-3-6-12/h1-7,10,13,16H,8-9,11,15H2
InChIKeyBXIRGPNMISKSGL-UHFFFAOYSA-N
XLogP2.69
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-phenylbutan-2-yl)-1H-pyrrole
CID 57270402
4-amino-1-phenylbutane-2-thiol
CID 87625270
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CID 24744115
2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82282761
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
(3S)-3-benzyl-4,4-dimethylhexan-1-amine
CID 71001493
2-hexan-3-yl-1H-pyrrole
CID 91299490
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
4-amino-2-benzylbutanoic acid
CID 16679765
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 34364265
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine?
The IUPAC name of 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine (CID 57150661) is 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine.
What is the SMILES notation for 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine?
The canonical SMILES for 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine is NCCC(Cc1ccccc1)c1ccc[nH]1.
What is the InChIKey of 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine?
The InChIKey is BXIRGPNMISKSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-9-8-13(14-7-4-10-16-14)11-12-5-2-1-3-6-12/h1-7,10,13,16H,8-9,11,15H2.
What are the key properties of 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine?
4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(1H-pyrrol-2-yl)butan-1-amine is sourced from PubChem (CID 57150661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).