2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride

C12H16Cl2N2O — CID 170892703

IUPAC2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
SMILESCl.Cn1c(Cl)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C12H15ClN2O.ClH/c1-15-11-5-3-2-4-9(11)10(12(15)13)6-8(14)7-16;/h2-5,8,16H,6-7,14H2,1H3;1H
InChIKeyIBKIPYXLNHJJNU-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride

2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride (PubChem CID 170892703) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
PubChem CID170892703
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
SMILESCl.Cn1c(Cl)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C12H15ClN2O.ClH/c1-15-11-5-3-2-4-9(11)10(12(15)13)6-8(14)7-16;/h2-5,8,16H,6-7,14H2,1H3;1H
InChIKeyIBKIPYXLNHJJNU-UHFFFAOYSA-N
XLogP2.12
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride
CID 170892547
ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
CID 170884911
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride
CID 170892608
(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid
CID 17385282
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
CID 170892609
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
2-amino-3-(1-methylindol-2-yl)propan-1-ol;ethane
CID 143481750
2-amino-3-carbazol-9-ylpropan-1-ol
CID 64810076
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride (CID 170892703) is 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride is Cl.Cn1c(Cl)c(CC(N)CO)c2ccccc21.
What is the InChIKey of 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride?
The InChIKey is IBKIPYXLNHJJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c1-15-11-5-3-2-4-9(11)10(12(15)13)6-8(14)7-16;/h2-5,8,16H,6-7,14H2,1H3;1H.
What are the key properties of 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride?
2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).