4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine

C19H21ClN2O — CID 3892528

IUPAC4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1ccc(-c2[nH]c3ccc(Cl)cc3c2CCCCN)cc1
InChIInChI=1S/C19H21ClN2O/c1-23-15-8-5-13(6-9-15)19-16(4-2-3-11-21)17-12-14(20)7-10-18(17)22-19/h5-10,12,22H,2-4,11,21H2,1H3
InChIKeyWSNYAHJICZQVST-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.78
Rot. Bonds6

About 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine

4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3892528) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3892528
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCOc1ccc(-c2[nH]c3ccc(Cl)cc3c2CCCCN)cc1
InChIInChI=1S/C19H21ClN2O/c1-23-15-8-5-13(6-9-15)19-16(4-2-3-11-21)17-12-14(20)7-10-18(17)22-19/h5-10,12,22H,2-4,11,21H2,1H3
InChIKeyWSNYAHJICZQVST-UHFFFAOYSA-N
XLogP4.78
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-tert-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 5131394
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[3-(4-aminobutyl)-5-methoxy-1H-indol-2-yl]-N,N-dimethylaniline
CID 3997182
2-[3-(4-aminobutyl)-2-(4-methoxyphenyl)-1H-indol-5-yl]acetic acid
CID 3893491
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[6-chloro-2-(4-methoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3525870
3-(4-aminobutyl)-2-(4-chlorophenyl)-1H-indole-5-carbonitrile
CID 3688893
4-[2-(4-butoxyphenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 3953124
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine (CID 3892528) is 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine is COc1ccc(-c2[nH]c3ccc(Cl)cc3c2CCCCN)cc1.
What is the InChIKey of 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is WSNYAHJICZQVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-23-15-8-5-13(6-9-15)19-16(4-2-3-11-21)17-12-14(20)7-10-18(17)22-19/h5-10,12,22H,2-4,11,21H2,1H3.
What are the key properties of 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine?
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 328.84 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3892528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).