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

C14H22BrN — CID 105401470

IUPACN-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(C)c(Br)c1
InChIInChI=1S/C14H22BrN/c1-4-5-6-12(3)16-10-13-8-7-11(2)14(15)9-13/h7-9,12,16H,4-6,10H2,1-3H3
InChIKeyKMNXBWIFRULKSY-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.43
Rot. Bonds6

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

N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine (PubChem CID 105401470) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine
PubChem CID105401470
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(C)c(Br)c1
InChIInChI=1S/C14H22BrN/c1-4-5-6-12(3)16-10-13-8-7-11(2)14(15)9-13/h7-9,12,16H,4-6,10H2,1-3H3
InChIKeyKMNXBWIFRULKSY-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-[(3-bromo-4-methoxyphenyl)methyl]octan-2-amine
CID 43220775
4-[(hexan-2-ylamino)methyl]benzene-1,2-diol
CID 62196921
N-[(3-bromo-4-methylphenyl)methyl]hexan-1-amine
CID 105401081
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
N-[(4-methyl-3-nitrophenyl)methyl]octan-2-amine
CID 43223050
(2S)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 105026288
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 103924355
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
CID 115526455
2-fluoro-5-[(hexan-2-ylamino)methyl]benzonitrile
CID 114012120

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine (CID 105401470) is N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1ccc(C)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine?
The InChIKey is KMNXBWIFRULKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-5-6-12(3)16-10-13-8-7-11(2)14(15)9-13/h7-9,12,16H,4-6,10H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine?
N-[(3-bromo-4-methylphenyl)methyl]hexan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.43, 6 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]hexan-2-amine is sourced from PubChem (CID 105401470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).