1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine

C18H21ClN2 — CID 80567011

IUPAC1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)CC1CNc2ccccc21
InChIInChI=1S/C18H21ClN2/c1-13(14-6-5-7-16(19)10-14)21(2)12-15-11-20-18-9-4-3-8-17(15)18/h3-10,13,15,20H,11-12H2,1-2H3
InChIKeyNZDZJHLFAQDZKE-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine

1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine (PubChem CID 80567011) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
PubChem CID80567011
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)CC1CNc2ccccc21
InChIInChI=1S/C18H21ClN2/c1-13(14-6-5-7-16(19)10-14)21(2)12-15-11-20-18-9-4-3-8-17(15)18/h3-10,13,15,20H,11-12H2,1-2H3
InChIKeyNZDZJHLFAQDZKE-UHFFFAOYSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine
CID 79384551
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
CID 66472315
1-(3-chlorophenyl)-N-methyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628582
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113426004
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
CID 80567320
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine (CID 80567011) is 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine is CC(c1cccc(Cl)c1)N(C)CC1CNc2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine?
The InChIKey is NZDZJHLFAQDZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-13(14-6-5-7-16(19)10-14)21(2)12-15-11-20-18-9-4-3-8-17(15)18/h3-10,13,15,20H,11-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine?
1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine has a molecular weight of 300.83 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 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 80567011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).