2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine

C14H21BrN2 — CID 16643571

IUPAC2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
SMILESNC(CN1CCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c15-13-7-5-12(6-8-13)14(16)11-17-9-3-1-2-4-10-17/h5-8,14H,1-4,9-11,16H2
InChIKeyCMXGLNSNLNJUPB-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.32
Rot. Bonds3

About 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine

2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine (PubChem CID 16643571) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
PubChem CID16643571
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
SMILESNC(CN1CCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c15-13-7-5-12(6-8-13)14(16)11-17-9-3-1-2-4-10-17/h5-8,14H,1-4,9-11,16H2
InChIKeyCMXGLNSNLNJUPB-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
(1S,2R)-3-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol
CID 31196420
3-(1-amino-2-piperidin-1-ylethyl)phenol
CID 117242599
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 142799873

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine (CID 16643571) is 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine is NC(CN1CCCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine?
The InChIKey is CMXGLNSNLNJUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c15-13-7-5-12(6-8-13)14(16)11-17-9-3-1-2-4-10-17/h5-8,14H,1-4,9-11,16H2.
What are the key properties of 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine?
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine is sourced from PubChem (CID 16643571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).