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

C11H17BrN2 — CID 65385972

IUPAC2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-3-11(2,8-13)14-10-6-4-9(12)5-7-10/h4-7,14H,3,8,13H2,1-2H3
InChIKeyTYPNWVRSPKVFDS-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.99
Rot. Bonds4

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

2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine (PubChem CID 65385972) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
PubChem CID65385972
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-3-11(2,8-13)14-10-6-4-9(12)5-7-10/h4-7,14H,3,8,13H2,1-2H3
InChIKeyTYPNWVRSPKVFDS-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65384910
2-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 64549693
2-N-(4-bromophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535351
2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831540
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
CID 174182706
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79126815
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine (CID 65385972) is 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine is CCC(C)(CN)Nc1ccc(Br)cc1.
What is the InChIKey of 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine?
The InChIKey is TYPNWVRSPKVFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-11(2,8-13)14-10-6-4-9(12)5-7-10/h4-7,14H,3,8,13H2,1-2H3.
What are the key properties of 2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine?
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine has a molecular weight of 257.18 g/mol, XLogP of 2.99, 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)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 65385972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).