(1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine

C18H19Cl2N — CID 10591764

IUPAC(1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-11(2)21-18-10-15(13-5-3-4-6-14(13)18)12-7-8-16(19)17(20)9-12/h3-9,11,15,18,21H,10H2,1-2H3/t15-,18+/m0/s1
InChIKeyMSLSPRSRIMVUAY-MAUKXSAKSA-N
MW320.26 g/mol
LogP5.57
Rot. Bonds3

About (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine

(1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 10591764) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID10591764
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name(1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-11(2)21-18-10-15(13-5-3-4-6-14(13)18)12-7-8-16(19)17(20)9-12/h3-9,11,15,18,21H,10H2,1-2H3/t15-,18+/m0/s1
InChIKeyMSLSPRSRIMVUAY-MAUKXSAKSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Indatraline hydrochloride
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[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
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3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
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[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
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[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
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[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
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CID 71498955

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine (CID 10591764) is (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine is CC(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MSLSPRSRIMVUAY-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-11(2)21-18-10-15(13-5-3-4-6-14(13)18)12-7-8-16(19)17(20)9-12/h3-9,11,15,18,21H,10H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 320.26 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(3,4-dichlorophenyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10591764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).