1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol

C13H18ClNO — CID 168637341

IUPAC1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol
SMILESCc1cc2c(c(NCC(O)CCl)c1)CCC2
InChIInChI=1S/C13H18ClNO/c1-9-5-10-3-2-4-12(10)13(6-9)15-8-11(16)7-14/h5-6,11,15-16H,2-4,7-8H2,1H3
InChIKeyWQIQEMYHWNDVHQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.50
Rot. Bonds4

About 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol

1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol (PubChem CID 168637341) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol
PubChem CID168637341
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol
SMILESCc1cc2c(c(NCC(O)CCl)c1)CCC2
InChIInChI=1S/C13H18ClNO/c1-9-5-10-3-2-4-12(10)13(6-9)15-8-11(16)7-14/h5-6,11,15-16H,2-4,7-8H2,1H3
InChIKeyWQIQEMYHWNDVHQ-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide
CID 169366117
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
5-[(3-chloro-2-hydroxypropyl)amino]-2,4-dimethylbenzonitrile
CID 168639832
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol
CID 168640862
1-chloro-3-(2,4-dimethyl-5-methylsulfonylanilino)propan-2-ol
CID 168637485
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide
CID 168638760
2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
CID 168640691
4-[(3-chloro-2-hydroxypropyl)amino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 168638523
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
CID 168637118
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol (CID 168637341) is 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol is Cc1cc2c(c(NCC(O)CCl)c1)CCC2.
What is the InChIKey of 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol?
The InChIKey is WQIQEMYHWNDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-5-10-3-2-4-12(10)13(6-9)15-8-11(16)7-14/h5-6,11,15-16H,2-4,7-8H2,1H3.
What are the key properties of 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol?
1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol has a molecular weight of 239.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol is sourced from PubChem (CID 168637341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).