3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C16H17Cl2N — CID 45260280

IUPAC3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2cccc(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C16H16ClN.ClH/c1-18-16-10-15(11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16;/h2-9,15-16,18H,10H2,1H3;1H
InChIKeyOEMHKMRPAWLAHX-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.56
Rot. Bonds2

About 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260280) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260280
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCNC1CC(c2cccc(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C16H16ClN.ClH/c1-18-16-10-15(11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16;/h2-9,15-16,18H,10H2,1H3;1H
InChIKeyOEMHKMRPAWLAHX-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 11465618
CID 11465618
CID 126280
CID 126280
CID 10314472
CID 10314472
CID 3703
CID 3703
CID 3020938
CID 3020938
CID 9796539
CID 9796539
CID 9884474
CID 9884474
CID 13543806
CID 13543806
CID 45260325
CID 45260325
CID 71498955
CID 71498955
CID 89287174
CID 89287174
CID 13543780
CID 13543780

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260280) is 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CNC1CC(c2cccc(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is OEMHKMRPAWLAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN.ClH/c1-18-16-10-15(11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16;/h2-9,15-16,18H,10H2,1H3;1H.
What are the key properties of 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 294.23 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).