1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine

C19H22N2 — CID 66397584

IUPAC1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H22N2/c1-2-18(20)12-15-10-11-21(13-15)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13,18H,2,12,14,20H2,1H3
InChIKeyXEHJRSPGPZIWLN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.97
Rot. Bonds5

About 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine

1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine (PubChem CID 66397584) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
PubChem CID66397584
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H22N2/c1-2-18(20)12-15-10-11-21(13-15)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13,18H,2,12,14,20H2,1H3
InChIKeyXEHJRSPGPZIWLN-UHFFFAOYSA-N
XLogP3.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(2-aminobutyl)pyrrol-1-yl]methyl]benzonitrile
CID 66399905
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66399282
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 105375157
1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 79240540
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66398431
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol
CID 79101717
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66404673
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine
CID 107053857
1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66399693
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 115334464
1-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 79709515

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine?
The IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine (CID 66397584) is 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine is CCC(N)Cc1ccn(Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine?
The InChIKey is XEHJRSPGPZIWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-18(20)12-15-10-11-21(13-15)14-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13,18H,2,12,14,20H2,1H3.
What are the key properties of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine?
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine is sourced from PubChem (CID 66397584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).