2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine

C18H18Cl2N2 — CID 83976836

IUPAC2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
SMILESCn1cc(C(CN)Cc2cccc(Cl)c2)c2ccc(Cl)cc21
InChIInChI=1S/C18H18Cl2N2/c1-22-11-17(16-6-5-15(20)9-18(16)22)13(10-21)7-12-3-2-4-14(19)8-12/h2-6,8-9,11,13H,7,10,21H2,1H3
InChIKeyMTSUXSFNHQDMCV-UHFFFAOYSA-N
MW333.26 g/mol
LogP4.77
Rot. Bonds4

About 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine

2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine (PubChem CID 83976836) has the molecular formula C18H18Cl2N2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
PubChem CID83976836
Molecular FormulaC18H18Cl2N2
Molecular Weight333.26 g/mol
Exact Mass332.08
IUPAC Name2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
SMILESCn1cc(C(CN)Cc2cccc(Cl)c2)c2ccc(Cl)cc21
InChIInChI=1S/C18H18Cl2N2/c1-22-11-17(16-6-5-15(20)9-18(16)22)13(10-21)7-12-3-2-4-14(19)8-12/h2-6,8-9,11,13H,7,10,21H2,1H3
InChIKeyMTSUXSFNHQDMCV-UHFFFAOYSA-N
XLogP4.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 83976850
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol
CID 83975370
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide
CID 73333376

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine (CID 83976836) is 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine is Cn1cc(C(CN)Cc2cccc(Cl)c2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine?
The InChIKey is MTSUXSFNHQDMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2/c1-22-11-17(16-6-5-15(20)9-18(16)22)13(10-21)7-12-3-2-4-14(19)8-12/h2-6,8-9,11,13H,7,10,21H2,1H3.
What are the key properties of 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine?
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine has a molecular weight of 333.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 83976836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).