N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine

C16H24ClNO — CID 63450398

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
SMILESCOc1ccc(Cl)cc1CNCCC1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-19-16-8-7-15(17)11-14(16)12-18-10-9-13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10,12H2,1H3
InChIKeyVMKMCNQTCAYWKR-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.41
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine (PubChem CID 63450398) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
PubChem CID63450398
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
SMILESCOc1ccc(Cl)cc1CNCCC1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-19-16-8-7-15(17)11-14(16)12-18-10-9-13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10,12H2,1H3
InChIKeyVMKMCNQTCAYWKR-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 78998881
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632586
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine (CID 63450398) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine is COc1ccc(Cl)cc1CNCCC1CCCCC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine?
The InChIKey is VMKMCNQTCAYWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-19-16-8-7-15(17)11-14(16)12-18-10-9-13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10,12H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine is sourced from PubChem (CID 63450398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).