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

C19H21Cl2N — CID 10520686

IUPAC(1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H21Cl2N/c1-19(2,3)22-18-11-15(13-6-4-5-7-14(13)18)12-8-9-16(20)17(21)10-12/h4-10,15,18,22H,11H2,1-3H3/t15-,18+/m0/s1
InChIKeyIAXQDXIYZZJWKO-MAUKXSAKSA-N
MW334.29 g/mol
LogP5.96
Rot. Bonds2

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

(1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 10520686) has the molecular formula C19H21Cl2N and a molecular weight of 334.29 g/mol. Its IUPAC name is (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID10520686
Molecular FormulaC19H21Cl2N
Molecular Weight334.29 g/mol
Exact Mass333.11
IUPAC Name(1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H21Cl2N/c1-19(2,3)22-18-11-15(13-6-4-5-7-14(13)18)12-8-9-16(20)17(21)10-12/h4-10,15,18,22H,11H2,1-3H3/t15-,18+/m0/s1
InChIKeyIAXQDXIYZZJWKO-MAUKXSAKSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.29
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
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CID 11465618
Indatraline
CID 126280
Indatraline hydrochloride
CID 10314472
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
CID 3703
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260325
Zicronapine-D8
CID 71498955

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 10520686) is (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine is CC(C)(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IAXQDXIYZZJWKO-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H21Cl2N/c1-19(2,3)22-18-11-15(13-6-4-5-7-14(13)18)12-8-9-16(20)17(21)10-12/h4-10,15,18,22H,11H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 334.29 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10520686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).