1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol

C16H16ClNO — CID 43636953

IUPAC1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO/c17-14-6-2-1-4-11(14)10-18-15-9-8-13-12(15)5-3-7-16(13)19/h1-7,15,18-19H,8-10H2
InChIKeyBRALNBFMXRZGCT-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.82
Rot. Bonds3

About 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol

1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 43636953) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID43636953
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO/c17-14-6-2-1-4-11(14)10-18-15-9-8-13-12(15)5-3-7-16(13)19/h1-7,15,18-19H,8-10H2
InChIKeyBRALNBFMXRZGCT-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103291925
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54900064
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 61401434
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252564
1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 63822385
2-[[(4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]-3-chlorophenol
CID 167981267
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184
1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115869693

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 43636953) is 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is BRALNBFMXRZGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-6-2-1-4-11(14)10-18-15-9-8-13-12(15)5-3-7-16(13)19/h1-7,15,18-19H,8-10H2.
What are the key properties of 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 273.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43636953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).