N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine

C17H28N2 — CID 55249395

IUPACN-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCNC(CN1CCCC(C)CC1)c1ccccc1C
InChIInChI=1S/C17H28N2/c1-14-7-6-11-19(12-10-14)13-17(18-3)16-9-5-4-8-15(16)2/h4-5,8-9,14,17-18H,6-7,10-13H2,1-3H3
InChIKeyONJBPNYSJPATAS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds4

About N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine

N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 55249395) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
PubChem CID55249395
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCNC(CN1CCCC(C)CC1)c1ccccc1C
InChIInChI=1S/C17H28N2/c1-14-7-6-11-19(12-10-14)13-17(18-3)16-9-5-4-8-15(16)2/h4-5,8-9,14,17-18H,6-7,10-13H2,1-3H3
InChIKeyONJBPNYSJPATAS-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592756
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
CID 63622557
ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
CID 143114244
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
CID 63622402
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 64575724
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine (CID 55249395) is N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine is CNC(CN1CCCC(C)CC1)c1ccccc1C.
What is the InChIKey of N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is ONJBPNYSJPATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-7-6-11-19(12-10-14)13-17(18-3)16-9-5-4-8-15(16)2/h4-5,8-9,14,17-18H,6-7,10-13H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 55249395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).