1-(3-bromophenyl)-2-ethylpropane-1,3-diamine

C11H17BrN2 — CID 116945535

IUPAC1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
SMILESCCC(CN)C(N)c1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-8(7-13)11(14)9-4-3-5-10(12)6-9/h3-6,8,11H,2,7,13-14H2,1H3
InChIKeyXQAVEISXHAPJSJ-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine

1-(3-bromophenyl)-2-ethylpropane-1,3-diamine (PubChem CID 116945535) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
PubChem CID116945535
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
SMILESCCC(CN)C(N)c1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-8(7-13)11(14)9-4-3-5-10(12)6-9/h3-6,8,11H,2,7,13-14H2,1H3
InChIKeyXQAVEISXHAPJSJ-UHFFFAOYSA-N
XLogP2.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
ethyl (3R)-3-amino-3-(3-bromophenyl)-2-fluoropropanoate;hydrochloride
CID 171239258
ethyl (3S)-3-amino-3-(3-bromophenyl)-2-fluoropropanoate;hydrochloride
CID 171245971
2-(3-bromophenyl)pentan-3-ol
CID 79298699
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-bromophenyl)hexan-1-amine
CID 62602572

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine (CID 116945535) is 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine is CCC(CN)C(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine?
The InChIKey is XQAVEISXHAPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-8(7-13)11(14)9-4-3-5-10(12)6-9/h3-6,8,11H,2,7,13-14H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine?
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine has a molecular weight of 257.18 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-ethylpropane-1,3-diamine is sourced from PubChem (CID 116945535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).