1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine

C18H26ClN — CID 106123359

IUPAC1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
SMILESClC1CCC(CNCC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26ClN/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-2,4,7,14,16-17,20H,3,5-6,8-13H2
InChIKeyWRPHYPMGLUYPRI-UHFFFAOYSA-N
MW291.87 g/mol
LogP4.49
Rot. Bonds4

About 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine

1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine (PubChem CID 106123359) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
PubChem CID106123359
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
SMILESClC1CCC(CNCC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26ClN/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-2,4,7,14,16-17,20H,3,5-6,8-13H2
InChIKeyWRPHYPMGLUYPRI-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
CID 107851787
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 63773492
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63897806
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine (CID 106123359) is 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine is ClC1CCC(CNCC2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine?
The InChIKey is WRPHYPMGLUYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-2,4,7,14,16-17,20H,3,5-6,8-13H2.
What are the key properties of 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine?
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine has a molecular weight of 291.87 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 106123359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).