N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine

C15H24BrN — CID 18807565

IUPACN-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)5-4-6-13(3)17-11-14-7-9-15(16)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3
InChIKeyNNHGQCCMICQDKM-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.75
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine

N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine (PubChem CID 18807565) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
PubChem CID18807565
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)5-4-6-13(3)17-11-14-7-9-15(16)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3
InChIKeyNNHGQCCMICQDKM-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
CID 43081026
2-[4-[(6-methylheptan-2-ylamino)methyl]phenyl]propanoic acid
CID 103247237
N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine
CID 65479220
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-[(4-bromophenyl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353948
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine (CID 18807565) is N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine?
The InChIKey is NNHGQCCMICQDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-12(2)5-4-6-13(3)17-11-14-7-9-15(16)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine?
N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine has a molecular weight of 298.27 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine is sourced from PubChem (CID 18807565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).