3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol

C10H12ClNO — CID 82125901

IUPAC3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol
SMILESNCC1CC(O)c2cccc(Cl)c21
InChIInChI=1S/C10H12ClNO/c11-8-3-1-2-7-9(13)4-6(5-12)10(7)8/h1-3,6,9,13H,4-5,12H2
InChIKeyVHRKLVHVKAUEIY-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.82
Rot. Bonds1

About 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol

3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol (PubChem CID 82125901) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol
PubChem CID82125901
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol
SMILESNCC1CC(O)c2cccc(Cl)c21
InChIInChI=1S/C10H12ClNO/c11-8-3-1-2-7-9(13)4-6(5-12)10(7)8/h1-3,6,9,13H,4-5,12H2
InChIKeyVHRKLVHVKAUEIY-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614
(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
CID 12013036
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315
cis-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropan-1-amine
CID 93299511
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine
CID 70430746
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride
CID 158525869
2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol
CID 22645938
(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 125481378

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol (CID 82125901) is 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol is NCC1CC(O)c2cccc(Cl)c21.
What is the InChIKey of 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VHRKLVHVKAUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-3-1-2-7-9(13)4-6(5-12)10(7)8/h1-3,6,9,13H,4-5,12H2.
What are the key properties of 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol?
3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 197.66 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 82125901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).