1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine

C19H21ClN2 — CID 134092367

IUPAC1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(Cn2cc(CN(C)C)c3c(Cl)cccc32)cc1
InChIInChI=1S/C19H21ClN2/c1-14-7-9-15(10-8-14)11-22-13-16(12-21(2)3)19-17(20)5-4-6-18(19)22/h4-10,13H,11-12H2,1-3H3
InChIKeyCGZDFIREVRFSST-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.71
Rot. Bonds4

About 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine

1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine (PubChem CID 134092367) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine
PubChem CID134092367
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(Cn2cc(CN(C)C)c3c(Cl)cccc32)cc1
InChIInChI=1S/C19H21ClN2/c1-14-7-9-15(10-8-14)11-22-13-16(12-21(2)3)19-17(20)5-4-6-18(19)22/h4-10,13H,11-12H2,1-3H3
InChIKeyCGZDFIREVRFSST-UHFFFAOYSA-N
XLogP4.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine
CID 132510883
3-[(dimethylamino)methyl]-1-ethylindol-4-amine
CID 117171719
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 70953010
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
4-chloro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117172066
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
(1-benzyl-4-chloroindol-3-yl) acetate
CID 54753129
2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 154159939

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine (CID 134092367) is 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine is Cc1ccc(Cn2cc(CN(C)C)c3c(Cl)cccc32)cc1.
What is the InChIKey of 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is CGZDFIREVRFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-14-7-9-15(10-8-14)11-22-13-16(12-21(2)3)19-17(20)5-4-6-18(19)22/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine?
1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 312.84 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 134092367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).