5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine

C18H21ClN2 — CID 167560808

IUPAC5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Cl)cc2C1.NC1Cc2ccccc2C1
InChIInChI=1S/C9H10ClN.C9H11N/c10-8-2-1-6-4-9(11)5-7(6)3-8;10-9-5-7-3-1-2-4-8(7)6-9/h1-3,9H,4-5,11H2;1-4,9H,5-6,10H2
InChIKeyDPZTWQQWQPMGLE-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.88
Rot. Bonds

About 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine

5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine (PubChem CID 167560808) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine
PubChem CID167560808
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Cl)cc2C1.NC1Cc2ccccc2C1
InChIInChI=1S/C9H10ClN.C9H11N/c10-8-2-1-6-4-9(11)5-7(6)3-8;10-9-5-7-3-1-2-4-8(7)6-9/h1-3,9H,4-5,11H2;1-4,9H,5-6,10H2
InChIKeyDPZTWQQWQPMGLE-UHFFFAOYSA-N
XLogP2.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
CID 102268560
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
(3R)-7-chloro-3,4-dihydro-2H-chromen-3-amine
CID 92966039
5-chloro-2-methoxy-2,3-dihydro-1H-indene
CID 141376286
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 81337822
7-chloro-1-ethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83754383
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-2-amine
CID 115348786
3-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115045453
5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine
CID 82709693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine (CID 167560808) is 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine is NC1Cc2ccc(Cl)cc2C1.NC1Cc2ccccc2C1.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine?
The InChIKey is DPZTWQQWQPMGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.C9H11N/c10-8-2-1-6-4-9(11)5-7(6)3-8;10-9-5-7-3-1-2-4-8(7)6-9/h1-3,9H,4-5,11H2;1-4,9H,5-6,10H2.
What are the key properties of 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine?
5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine has a molecular weight of 300.83 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 167560808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).