2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline

C16H26N2 — CID 66419053

IUPAC2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
SMILESCC1CCC(CCNCc2ccccc2N)CC1
InChIInChI=1S/C16H26N2/c1-13-6-8-14(9-7-13)10-11-18-12-15-4-2-3-5-16(15)17/h2-5,13-14,18H,6-12,17H2,1H3
InChIKeyMYQFYAZMMUQGAJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds5

About 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline

2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline (PubChem CID 66419053) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
PubChem CID66419053
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
SMILESCC1CCC(CCNCc2ccccc2N)CC1
InChIInChI=1S/C16H26N2/c1-13-6-8-14(9-7-13)10-11-18-12-15-4-2-3-5-16(15)17/h2-5,13-14,18H,6-12,17H2,1H3
InChIKeyMYQFYAZMMUQGAJ-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
CID 115414217
2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 106703541
2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
CID 115753474
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629
2-[(3-methylbutylamino)methyl]aniline
CID 65439123
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
2,2-difluoro-N-[2-(4-methylcyclohexyl)ethyl]-2-phenylethanamine
CID 116789098
2-(cyclopropylmethyl)aniline
CID 55285261
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline?
The IUPAC name of 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline (CID 66419053) is 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline.
What is the SMILES notation for 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline?
The canonical SMILES for 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline is CC1CCC(CCNCc2ccccc2N)CC1.
What is the InChIKey of 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline?
The InChIKey is MYQFYAZMMUQGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-8-14(9-7-13)10-11-18-12-15-4-2-3-5-16(15)17/h2-5,13-14,18H,6-12,17H2,1H3.
What are the key properties of 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline?
2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline is sourced from PubChem (CID 66419053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).