3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine

C18H19ClN2 — CID 141126928

IUPAC3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine
SMILESCc1cn(C(CCN)c2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C18H19ClN2/c1-13-12-21(18-8-7-15(19)11-16(13)18)17(9-10-20)14-5-3-2-4-6-14/h2-8,11-12,17H,9-10,20H2,1H3
InChIKeyDZKHRVFKSGSYJI-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.54
Rot. Bonds4

About 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine

3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine (PubChem CID 141126928) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine
PubChem CID141126928
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine
SMILESCc1cn(C(CCN)c2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C18H19ClN2/c1-13-12-21(18-8-7-15(19)11-16(13)18)17(9-10-20)14-5-3-2-4-6-14/h2-8,11-12,17H,9-10,20H2,1H3
InChIKeyDZKHRVFKSGSYJI-UHFFFAOYSA-N
XLogP4.54
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-(5-chloro-3-methylindol-1-yl)-3-phenylpropane-1,2-diol
CID 68904807
3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine
CID 62780394
5-chloro-1-ethyl-3-methylindole
CID 23383492
3-indol-1-yl-3-phenylpropan-1-amine
CID 58088429
ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate
CID 67093514
5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
CID 142538861
5-methyl-1-(1-phenylpropyl)indole-3-carbonyl chloride
CID 172844267
3,5-dichloro-1-propan-2-ylindole
CID 166553086
1-(3-hydroxy-1-phenylpropyl)indole-3-carbonitrile
CID 86612754
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
2-[(1R)-3-amino-1-phenylpropyl]isoindole-1,3-dione
CID 70370419

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine?
The IUPAC name of 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine (CID 141126928) is 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine is Cc1cn(C(CCN)c2ccccc2)c2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine?
The InChIKey is DZKHRVFKSGSYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-13-12-21(18-8-7-15(19)11-16(13)18)17(9-10-20)14-5-3-2-4-6-14/h2-8,11-12,17H,9-10,20H2,1H3.
What are the key properties of 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine?
3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine has a molecular weight of 298.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 141126928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).