1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine

C18H29BrN2 — CID 104691933

IUPAC1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
SMILESCCC1CCCCCN1CCC(NC)c1ccccc1Br
InChIInChI=1S/C18H29BrN2/c1-3-15-9-5-4-8-13-21(15)14-12-18(20-2)16-10-6-7-11-17(16)19/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyRIYQNLVNKTXFIF-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.75
Rot. Bonds6

About 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine

1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine (PubChem CID 104691933) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
PubChem CID104691933
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
SMILESCCC1CCCCCN1CCC(NC)c1ccccc1Br
InChIInChI=1S/C18H29BrN2/c1-3-15-9-5-4-8-13-21(15)14-12-18(20-2)16-10-6-7-11-17(16)19/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyRIYQNLVNKTXFIF-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
2-bromo-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692439
1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62629250
1-(4-bromo-2-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)-N-methylpropan-1-amine
CID 82779580
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
1-(2-bromophenyl)-N-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62972451
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62617417
2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692395

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine (CID 104691933) is 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine is CCC1CCCCCN1CCC(NC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine?
The InChIKey is RIYQNLVNKTXFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-3-15-9-5-4-8-13-21(15)14-12-18(20-2)16-10-6-7-11-17(16)19/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine?
1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine has a molecular weight of 353.35 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 104691933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).