1-(4-bromophenyl)-N-methylpentan-2-amine

C12H18BrN — CID 60818837

IUPAC1-(4-bromophenyl)-N-methylpentan-2-amine
SMILESCCCC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C12H18BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyODEZOSLLLLNRGH-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-bromophenyl)-N-methylpentan-2-amine

1-(4-bromophenyl)-N-methylpentan-2-amine (PubChem CID 60818837) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methylpentan-2-amine
PubChem CID60818837
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name1-(4-bromophenyl)-N-methylpentan-2-amine
SMILESCCCC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C12H18BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyODEZOSLLLLNRGH-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105089113
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
1-[4-(difluoromethylsulfonyl)phenyl]-N-methylpentan-2-amine
CID 63199641
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methylpentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methylpentan-2-amine (CID 60818837) is 1-(4-bromophenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methylpentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methylpentan-2-amine is CCCC(Cc1ccc(Br)cc1)NC.
What is the InChIKey of 1-(4-bromophenyl)-N-methylpentan-2-amine?
The InChIKey is ODEZOSLLLLNRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methylpentan-2-amine?
1-(4-bromophenyl)-N-methylpentan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 60818837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).