N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine

C16H26BrN — CID 63454056

IUPACN-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-12(2)8-16(9-13(3)4)18-11-14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18H,8-9,11H2,1-4H3
InChIKeyKCCFZGQKDAYBGJ-UHFFFAOYSA-N
MW312.30 g/mol
LogP5.00
Rot. Bonds7

About N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine

N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine (PubChem CID 63454056) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
PubChem CID63454056
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC NameN-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1cccc(Br)c1
InChIInChI=1S/C16H26BrN/c1-12(2)8-16(9-13(3)4)18-11-14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18H,8-9,11H2,1-4H3
InChIKeyKCCFZGQKDAYBGJ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
N-[(3-bromophenyl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353947
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine (CID 63454056) is N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine?
The InChIKey is KCCFZGQKDAYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-12(2)8-16(9-13(3)4)18-11-14-6-5-7-15(17)10-14/h5-7,10,12-13,16,18H,8-9,11H2,1-4H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine?
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine has a molecular weight of 312.30 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 63454056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).