2-N-(4-bromophenyl)butane-1,2-diamine

C10H15BrN2 — CID 65385757

IUPAC2-N-(4-bromophenyl)butane-1,2-diamine
SMILESCCC(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h3-6,9,13H,2,7,12H2,1H3
InChIKeyMMFFDIGNCPJFBV-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.60
Rot. Bonds4

About 2-N-(4-bromophenyl)butane-1,2-diamine

2-N-(4-bromophenyl)butane-1,2-diamine (PubChem CID 65385757) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)butane-1,2-diamine
PubChem CID65385757
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-N-(4-bromophenyl)butane-1,2-diamine
SMILESCCC(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h3-6,9,13H,2,7,12H2,1H3
InChIKeyMMFFDIGNCPJFBV-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)pentanenitrile
CID 43368613
2-N-(4-bromophenyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675740
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
ethyl 2-(4-bromoanilino)-3-methylpentanoate
CID 61319158
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
2-(4-bromoanilino)-3-ethylpentanoic acid
CID 61318709
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine
CID 126713399
4-(pentan-3-ylamino)phenol
CID 43742811
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 65385553

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)butane-1,2-diamine?
The IUPAC name of 2-N-(4-bromophenyl)butane-1,2-diamine (CID 65385757) is 2-N-(4-bromophenyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)butane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)butane-1,2-diamine is CCC(CN)Nc1ccc(Br)cc1.
What is the InChIKey of 2-N-(4-bromophenyl)butane-1,2-diamine?
The InChIKey is MMFFDIGNCPJFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h3-6,9,13H,2,7,12H2,1H3.
What are the key properties of 2-N-(4-bromophenyl)butane-1,2-diamine?
2-N-(4-bromophenyl)butane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)butane-1,2-diamine is sourced from PubChem (CID 65385757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).