N-benzhydryl-2-(1H-indol-3-yl)ethanamine

C23H22N2 — CID 101231581

IUPACN-benzhydryl-2-(1H-indol-3-yl)ethanamine
SMILESc1ccc(C(NCCc2c[nH]c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H22N2/c1-3-9-18(10-4-1)23(19-11-5-2-6-12-19)24-16-15-20-17-25-22-14-8-7-13-21(20)22/h1-14,17,23-25H,15-16H2
InChIKeyMDTLFYKPDMWGMQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.09
Rot. Bonds6

About N-benzhydryl-2-(1H-indol-3-yl)ethanamine

N-benzhydryl-2-(1H-indol-3-yl)ethanamine (PubChem CID 101231581) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzhydryl-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzhydryl-2-(1H-indol-3-yl)ethanamine
PubChem CID101231581
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN-benzhydryl-2-(1H-indol-3-yl)ethanamine
SMILESc1ccc(C(NCCc2c[nH]c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H22N2/c1-3-9-18(10-4-1)23(19-11-5-2-6-12-19)24-16-15-20-17-25-22-14-8-7-13-21(20)22/h1-14,17,23-25H,15-16H2
InChIKeyMDTLFYKPDMWGMQ-UHFFFAOYSA-N
XLogP5.09
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine
CID 56676119
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
(2R)-2-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-2-phenylacetamide
CID 40938355
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-[2-(1H-indol-3-yl)ethylamino]-4-methylpentanenitrile
CID 112511537
2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
CID 97181242
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-benzhydryl-2-(1H-indol-3-yl)ethanamine (CID 101231581) is N-benzhydryl-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-benzhydryl-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-benzhydryl-2-(1H-indol-3-yl)ethanamine is c1ccc(C(NCCc2c[nH]c3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-2-(1H-indol-3-yl)ethanamine?
The InChIKey is MDTLFYKPDMWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-3-9-18(10-4-1)23(19-11-5-2-6-12-19)24-16-15-20-17-25-22-14-8-7-13-21(20)22/h1-14,17,23-25H,15-16H2.
What are the key properties of N-benzhydryl-2-(1H-indol-3-yl)ethanamine?
N-benzhydryl-2-(1H-indol-3-yl)ethanamine has a molecular weight of 326.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 101231581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).