[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine

C16H26N2 — CID 104688921

IUPAC[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
SMILESCCC1CCCCCN1c1ccc(CN)c(C)c1
InChIInChI=1S/C16H26N2/c1-3-15-7-5-4-6-10-18(15)16-9-8-14(12-17)13(2)11-16/h8-9,11,15H,3-7,10,12,17H2,1-2H3
InChIKeyYGLZRPSXMOOJLJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.61
Rot. Bonds3

About [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine

[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine (PubChem CID 104688921) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
PubChem CID104688921
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
SMILESCCC1CCCCCN1c1ccc(CN)c(C)c1
InChIInChI=1S/C16H26N2/c1-3-15-7-5-4-6-10-18(15)16-9-8-14(12-17)13(2)11-16/h8-9,11,15H,3-7,10,12,17H2,1-2H3
InChIKeyYGLZRPSXMOOJLJ-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine?
The IUPAC name of [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine (CID 104688921) is [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine is CCC1CCCCCN1c1ccc(CN)c(C)c1.
What is the InChIKey of [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine?
The InChIKey is YGLZRPSXMOOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-15-7-5-4-6-10-18(15)16-9-8-14(12-17)13(2)11-16/h8-9,11,15H,3-7,10,12,17H2,1-2H3.
What are the key properties of [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine?
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine is sourced from PubChem (CID 104688921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).