6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine

C13H16ClN — CID 115867658

IUPAC6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)C(NCC1CC1)CC2
InChIInChI=1S/C13H16ClN/c14-11-5-3-10-4-6-13(12(10)7-11)15-8-9-1-2-9/h3,5,7,9,13,15H,1-2,4,6,8H2
InChIKeyHOUTVOSRBHRIIO-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.33
Rot. Bonds3

About 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine

6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115867658) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115867658
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)C(NCC1CC1)CC2
InChIInChI=1S/C13H16ClN/c14-11-5-3-10-4-6-13(12(10)7-11)15-8-9-1-2-9/h3,5,7,9,13,15H,1-2,4,6,8H2
InChIKeyHOUTVOSRBHRIIO-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124537604
(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906751
2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 115867597
3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115867699
6-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 115867576
3-chloro-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735993
6-chloro-N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63464061
6-chloro-N-(thian-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115719910
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
6-chloro-N-(3-methylcyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115892348

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 115867658) is 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine is Clc1ccc2c(c1)C(NCC1CC1)CC2.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HOUTVOSRBHRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c14-11-5-3-10-4-6-13(12(10)7-11)15-8-9-1-2-9/h3,5,7,9,13,15H,1-2,4,6,8H2.
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine?
6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 221.73 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115867658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).