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

C18H30N2 — CID 63624425

IUPACN-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCCC(C)CC1)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-4-19-18(17-10-6-5-9-16(17)3)14-20-12-7-8-15(2)11-13-20/h5-6,9-10,15,18-19H,4,7-8,11-14H2,1-3H3
InChIKeyVUXKLOMOQOSIMN-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds5

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

N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 63624425) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
PubChem CID63624425
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCNC(CN1CCCC(C)CC1)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-4-19-18(17-10-6-5-9-16(17)3)14-20-12-7-8-15(2)11-13-20/h5-6,9-10,15,18-19H,4,7-8,11-14H2,1-3H3
InChIKeyVUXKLOMOQOSIMN-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 55249395
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 107392171
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine (CID 63624425) is N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine is CCNC(CN1CCCC(C)CC1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is VUXKLOMOQOSIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-19-18(17-10-6-5-9-16(17)3)14-20-12-7-8-15(2)11-13-20/h5-6,9-10,15,18-19H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine?
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63624425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).