N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine

C14H22BrN — CID 66472030

IUPACN-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1ccc(Br)c(C)c1)C(C)C
InChIInChI=1S/C14H22BrN/c1-5-14(10(2)3)16-9-12-6-7-13(15)11(4)8-12/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyNRZSMAGMQAGJSG-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.28
Rot. Bonds5

About N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine

N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine (PubChem CID 66472030) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
PubChem CID66472030
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1ccc(Br)c(C)c1)C(C)C
InChIInChI=1S/C14H22BrN/c1-5-14(10(2)3)16-9-12-6-7-13(15)11(4)8-12/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyNRZSMAGMQAGJSG-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
N-[(4-bromo-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691104
(2R)-2-[(4-bromo-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120511144
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
N-[(4-bromo-3-methylphenyl)methyl]pent-4-en-2-amine
CID 115668235
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
methyl (2S)-2-[(4-bromo-3-methylphenyl)methylamino]-3-methylbutanoate
CID 66472399

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine (CID 66472030) is N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine is CCC(NCc1ccc(Br)c(C)c1)C(C)C.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is NRZSMAGMQAGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-14(10(2)3)16-9-12-6-7-13(15)11(4)8-12/h6-8,10,14,16H,5,9H2,1-4H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine?
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 284.24 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 66472030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).