2-(3-bromophenyl)-N-methylpentan-3-amine

C12H18BrN — CID 79307668

IUPAC2-(3-bromophenyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-4-12(14-3)9(2)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyKECSBGORYWMQKK-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.55
Rot. Bonds4

About 2-(3-bromophenyl)-N-methylpentan-3-amine

2-(3-bromophenyl)-N-methylpentan-3-amine (PubChem CID 79307668) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methylpentan-3-amine
PubChem CID79307668
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-(3-bromophenyl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-4-12(14-3)9(2)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyKECSBGORYWMQKK-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-methylhexan-3-amine
CID 83051942
2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
CID 79307170
2-(3-bromophenyl)pentan-3-ol
CID 79298699
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-bromo-1-(3-bromophenyl)-N-methylmethanamine
CID 116961987
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
4-(3-bromophenyl)pentan-2-amine
CID 83912731
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methylpentan-3-amine?
The IUPAC name of 2-(3-bromophenyl)-N-methylpentan-3-amine (CID 79307668) is 2-(3-bromophenyl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-methylpentan-3-amine is CCC(NC)C(C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-methylpentan-3-amine?
The InChIKey is KECSBGORYWMQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-12(14-3)9(2)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-N-methylpentan-3-amine?
2-(3-bromophenyl)-N-methylpentan-3-amine has a molecular weight of 256.19 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methylpentan-3-amine is sourced from PubChem (CID 79307668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).