(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol

C17H17ClN2O — CID 107862609

IUPAC(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1[nH]c2ccccc2c1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-17-13-8-4-5-9-14(13)20-15(17)10-19-16(11-21)12-6-2-1-3-7-12/h1-9,16,19-21H,10-11H2/t16-/m0/s1
InChIKeyNTRSWWGHOBBEQV-INIZCTEOSA-N
MW300.79 g/mol
LogP3.64
Rot. Bonds5

About (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol

(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol (PubChem CID 107862609) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol
PubChem CID107862609
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1[nH]c2ccccc2c1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-17-13-8-4-5-9-14(13)20-15(17)10-19-16(11-21)12-6-2-1-3-7-12/h1-9,16,19-21H,10-11H2/t16-/m0/s1
InChIKeyNTRSWWGHOBBEQV-INIZCTEOSA-N
XLogP3.64
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81346935
3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol
CID 106156934
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407475
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
CID 107862655
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
CID 115406062
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
(1S)-1-(2-bromophenyl)-N-[(3-chloro-1H-indol-2-yl)methyl]ethanamine
CID 81378563
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol (CID 107862609) is (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol is OC[C@H](NCc1[nH]c2ccccc2c1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol?
The InChIKey is NTRSWWGHOBBEQV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-17-13-8-4-5-9-14(13)20-15(17)10-19-16(11-21)12-6-2-1-3-7-12/h1-9,16,19-21H,10-11H2/t16-/m0/s1.
What are the key properties of (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol?
(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol has a molecular weight of 300.79 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 (2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol is sourced from PubChem (CID 107862609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).