2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine

C17H24ClN — CID 102637515

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCCCC1Cl
InChIInChI=1S/C17H24ClN/c1-19(17-8-3-2-7-16(17)18)12-13-9-10-14-5-4-6-15(14)11-13/h9-11,16-17H,2-8,12H2,1H3
InChIKeyYMIQDBJUHWHZHG-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.16
Rot. Bonds3

About 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine

2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 102637515) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID102637515
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCCCC1Cl
InChIInChI=1S/C17H24ClN/c1-19(17-8-3-2-7-16(17)18)12-13-9-10-14-5-4-6-15(14)11-13/h9-11,16-17H,2-8,12H2,1H3
InChIKeyYMIQDBJUHWHZHG-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 102637488
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine
CID 75512591
4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 115150200
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637410
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637491
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine (CID 102637515) is 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine is CN(Cc1ccc2c(c1)CCC2)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is YMIQDBJUHWHZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-19(17-8-3-2-7-16(17)18)12-13-9-10-14-5-4-6-15(14)11-13/h9-11,16-17H,2-8,12H2,1H3.
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine?
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 277.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).