2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine

C18H26ClN — CID 102637491

IUPAC2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCc2ccccc21)C1CCCCC1Cl
InChIInChI=1S/C18H26ClN/c1-20(18-12-5-4-11-17(18)19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,7,10,15,17-18H,4-6,8-9,11-13H2,1H3
InChIKeyHFKSFCUHHUHPLY-UHFFFAOYSA-N
MW291.87 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine

2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine (PubChem CID 102637491) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
PubChem CID102637491
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCc2ccccc21)C1CCCCC1Cl
InChIInChI=1S/C18H26ClN/c1-20(18-12-5-4-11-17(18)19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,7,10,15,17-18H,4-6,8-9,11-13H2,1H3
InChIKeyHFKSFCUHHUHPLY-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 54.59
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-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63772319
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
CID 63772595
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 55243639
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
N-methyl-2-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 66273419
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine (CID 102637491) is 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine is CN(CC1CCCc2ccccc21)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is HFKSFCUHHUHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-20(18-12-5-4-11-17(18)19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,7,10,15,17-18H,4-6,8-9,11-13H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 291.87 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102637491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).