N-(1-phenylbutan-2-yl)-1H-indol-5-amine

C18H20N2 — CID 79007478

IUPACN-(1-phenylbutan-2-yl)-1H-indol-5-amine
SMILESCCC(Cc1ccccc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N2/c1-2-16(12-14-6-4-3-5-7-14)20-17-8-9-18-15(13-17)10-11-19-18/h3-11,13,16,19-20H,2,12H2,1H3
InChIKeyZJQGODPJCNYKDZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.60
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-1H-indol-5-amine

N-(1-phenylbutan-2-yl)-1H-indol-5-amine (PubChem CID 79007478) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-1H-indol-5-amine
PubChem CID79007478
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-(1-phenylbutan-2-yl)-1H-indol-5-amine
SMILESCCC(Cc1ccccc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N2/c1-2-16(12-14-6-4-3-5-7-14)20-17-8-9-18-15(13-17)10-11-19-18/h3-11,13,16,19-20H,2,12H2,1H3
InChIKeyZJQGODPJCNYKDZ-UHFFFAOYSA-N
XLogP4.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine
CID 102910859
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
N-[1-(4-propylphenyl)ethyl]-1H-indol-5-amine
CID 43103805
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
CID 79008754

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-1H-indol-5-amine?
The IUPAC name of N-(1-phenylbutan-2-yl)-1H-indol-5-amine (CID 79007478) is N-(1-phenylbutan-2-yl)-1H-indol-5-amine.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-1H-indol-5-amine?
The canonical SMILES for N-(1-phenylbutan-2-yl)-1H-indol-5-amine is CCC(Cc1ccccc1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1-phenylbutan-2-yl)-1H-indol-5-amine?
The InChIKey is ZJQGODPJCNYKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-16(12-14-6-4-3-5-7-14)20-17-8-9-18-15(13-17)10-11-19-18/h3-11,13,16,19-20H,2,12H2,1H3.
What are the key properties of N-(1-phenylbutan-2-yl)-1H-indol-5-amine?
N-(1-phenylbutan-2-yl)-1H-indol-5-amine has a molecular weight of 264.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)-1H-indol-5-amine is sourced from PubChem (CID 79007478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).