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

C14H22BrN — CID 106328069

IUPACN-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(C)c(Br)c1
InChIInChI=1S/C14H22BrN/c1-5-14(4,6-2)16-10-12-8-7-11(3)13(15)9-12/h7-9,16H,5-6,10H2,1-4H3
InChIKeyIWTWIPNVAZHUCX-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.43
Rot. Bonds5

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

N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine (PubChem CID 106328069) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine
PubChem CID106328069
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(C)c(Br)c1
InChIInChI=1S/C14H22BrN/c1-5-14(4,6-2)16-10-12-8-7-11(3)13(15)9-12/h7-9,16H,5-6,10H2,1-4H3
InChIKeyIWTWIPNVAZHUCX-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[(3-bromo-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105401425
1-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-2-ol
CID 113344535
N-[(3-bromo-4-methylphenyl)methyl]hexan-1-amine
CID 105401081
1-N-[(3-bromo-4-methylphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 105401165
N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 113344499
N-[(3-bromo-4-methylphenyl)methyl]-3-iodo-4-methylaniline
CID 105401249
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
3-[(3-bromo-4-methylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857841

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine (CID 106328069) is N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1ccc(C)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine?
The InChIKey is IWTWIPNVAZHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-14(4,6-2)16-10-12-8-7-11(3)13(15)9-12/h7-9,16H,5-6,10H2,1-4H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine?
N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine has a molecular weight of 284.24 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 106328069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).