3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol

C12H16ClNO — CID 84690193

IUPAC3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESNCCC(O)c1cc(Cl)c2c(c1)CCC2
InChIInChI=1S/C12H16ClNO/c13-11-7-9(12(15)4-5-14)6-8-2-1-3-10(8)11/h6-7,12,15H,1-5,14H2
InChIKeyKKYMOEQMKKFSJP-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.21
Rot. Bonds3

About 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol

3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol (PubChem CID 84690193) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol
PubChem CID84690193
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESNCCC(O)c1cc(Cl)c2c(c1)CCC2
InChIInChI=1S/C12H16ClNO/c13-11-7-9(12(15)4-5-14)6-8-2-1-3-10(8)11/h6-7,12,15H,1-5,14H2
InChIKeyKKYMOEQMKKFSJP-UHFFFAOYSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84667304
(1R)-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 130682579
ethyl 2-(7-chloro-2,3-dihydro-1H-inden-5-yl)-2-hydroxyacetate
CID 117389947
3-amino-2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117387277
3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
CID 84684971
(1R)-3-amino-1-(3-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 90212502
ethyl 2-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117425255
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 117321154
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol (CID 84690193) is 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol is NCCC(O)c1cc(Cl)c2c(c1)CCC2.
What is the InChIKey of 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The InChIKey is KKYMOEQMKKFSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-7-9(12(15)4-5-14)6-8-2-1-3-10(8)11/h6-7,12,15H,1-5,14H2.
What are the key properties of 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol?
3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol has a molecular weight of 225.72 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)propan-1-ol is sourced from PubChem (CID 84690193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).