2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline

C18H21N3 — CID 97181242

IUPAC2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
SMILESC[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1N
InChIInChI=1S/C18H21N3/c1-13(15-6-2-4-8-17(15)19)20-11-10-14-12-21-18-9-5-3-7-16(14)18/h2-9,12-13,20-21H,10-11,19H2,1H3/t13-/m1/s1
InChIKeyBJQNTSVVPCXJNU-CYBMUJFWSA-N
MW279.39 g/mol
LogP3.64
Rot. Bonds5

About 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline

2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline (PubChem CID 97181242) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline.

Molecular Properties

Compound Name2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
PubChem CID97181242
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
SMILESC[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1N
InChIInChI=1S/C18H21N3/c1-13(15-6-2-4-8-17(15)19)20-11-10-14-12-21-18-9-5-3-7-16(14)18/h2-9,12-13,20-21H,10-11,19H2,1H3/t13-/m1/s1
InChIKeyBJQNTSVVPCXJNU-CYBMUJFWSA-N
XLogP3.64
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881289
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
2-[2-(1H-indol-3-yl)ethylamino]-4-methylpentanenitrile
CID 112511537
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
(1S)-1-[(7R)-5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 137052768
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline?
The IUPAC name of 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline (CID 97181242) is 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline.
What is the SMILES notation for 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline?
The canonical SMILES for 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline is C[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1N.
What is the InChIKey of 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline?
The InChIKey is BJQNTSVVPCXJNU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(15-6-2-4-8-17(15)19)20-11-10-14-12-21-18-9-5-3-7-16(14)18/h2-9,12-13,20-21H,10-11,19H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline?
2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline has a molecular weight of 279.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline is sourced from PubChem (CID 97181242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).