N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine

C18H22N2 — CID 80567527

IUPACN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)CC1Cc2ccccc2N1
InChIInChI=1S/C18H22N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-10,17,19H,11-14H2,1H3
InChIKeyLQOQSQMKYXWLFT-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.20
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine

N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine (PubChem CID 80567527) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
PubChem CID80567527
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)CC1Cc2ccccc2N1
InChIInChI=1S/C18H22N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-10,17,19H,11-14H2,1H3
InChIKeyLQOQSQMKYXWLFT-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine
CID 80567671
N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 80567476
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline
CID 80567470
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 112736749
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
CID 65487131
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273
N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine
CID 80567596
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine (CID 80567527) is N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine is CN(CCc1ccccc1)CC1Cc2ccccc2N1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
The InChIKey is LQOQSQMKYXWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-10,17,19H,11-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 80567527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).