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

C19H32N2 — CID 63623524

IUPACN-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CN2CCCC(C)CC2)NC)cc1
InChIInChI=1S/C19H32N2/c1-4-6-17-8-10-18(11-9-17)19(20-3)15-21-13-5-7-16(2)12-14-21/h8-11,16,19-20H,4-7,12-15H2,1-3H3
InChIKeyIQGXHVNZVZSXAA-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

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

N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine (PubChem CID 63623524) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
PubChem CID63623524
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CN2CCCC(C)CC2)NC)cc1
InChIInChI=1S/C19H32N2/c1-4-6-17-8-10-18(11-9-17)19(20-3)15-21-13-5-7-16(2)12-14-21/h8-11,16,19-20H,4-7,12-15H2,1-3H3
InChIKeyIQGXHVNZVZSXAA-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 55249395
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63468845
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
2-(4-ethylpiperidin-1-yl)-1-(4-propylphenyl)ethanamine
CID 61421149
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472079
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine (CID 63623524) is N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(CN2CCCC(C)CC2)NC)cc1.
What is the InChIKey of N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine?
The InChIKey is IQGXHVNZVZSXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-17-8-10-18(11-9-17)19(20-3)15-21-13-5-7-16(2)12-14-21/h8-11,16,19-20H,4-7,12-15H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine?
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 6 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-(4-propylphenyl)ethanamine is sourced from PubChem (CID 63623524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).