3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine

C20H23ClN2O — CID 83976343

IUPAC3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C20H23ClN2O/c1-2-9-24-20-8-7-14(11-18(20)21)10-15(12-22)17-13-23-19-6-4-3-5-16(17)19/h3-8,11,13,15,23H,2,9-10,12,22H2,1H3
InChIKeyOJSZKXIVQCQFTP-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.90
Rot. Bonds7

About 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine

3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine (PubChem CID 83976343) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
PubChem CID83976343
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C20H23ClN2O/c1-2-9-24-20-8-7-14(11-18(20)21)10-15(12-22)17-13-23-19-6-4-3-5-16(17)19/h3-8,11,13,15,23H,2,9-10,12,22H2,1H3
InChIKeyOJSZKXIVQCQFTP-UHFFFAOYSA-N
XLogP4.90
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976328
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine (CID 83976343) is 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine is CCCOc1ccc(CC(CN)c2c[nH]c3ccccc23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
The InChIKey is OJSZKXIVQCQFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-2-9-24-20-8-7-14(11-18(20)21)10-15(12-22)17-13-23-19-6-4-3-5-16(17)19/h3-8,11,13,15,23H,2,9-10,12,22H2,1H3.
What are the key properties of 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine?
3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine has a molecular weight of 342.87 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).