6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine

C18H18ClN — CID 89492546

IUPAC6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)C(N[C@H]1CC1c1ccccc1)CC2
InChIInChI=1S/C18H18ClN/c19-14-8-6-13-7-9-17(15(13)10-14)20-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,20H,7,9,11H2/t16?,17?,18-/m0/s1
InChIKeyXYCRGAPMMXRAJL-ABHNRTSZSA-N
MW283.80 g/mol
LogP4.47
Rot. Bonds3

About 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine

6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 89492546) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID89492546
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)C(N[C@H]1CC1c1ccccc1)CC2
InChIInChI=1S/C18H18ClN/c19-14-8-6-13-7-9-17(15(13)10-14)20-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,20H,7,9,11H2/t16?,17?,18-/m0/s1
InChIKeyXYCRGAPMMXRAJL-ABHNRTSZSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Zicronapine
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
1-[(1R,3S)-6-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
CID 89287174
[3-(4-Chloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543780

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine (CID 89492546) is 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine is Clc1ccc2c(c1)C(N[C@H]1CC1c1ccccc1)CC2.
What is the InChIKey of 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XYCRGAPMMXRAJL-ABHNRTSZSA-N. The full InChI is InChI=1S/C18H18ClN/c19-14-8-6-13-7-9-17(15(13)10-14)20-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,20H,7,9,11H2/t16?,17?,18-/m0/s1.
What are the key properties of 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine?
6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.80 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S)-2-phenylcyclopropyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 89492546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).