N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine

C16H25Br2N — CID 60781481

IUPACN-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H25Br2N/c1-11(2)6-5-7-12(3)19-13(4)15-9-8-14(17)10-16(15)18/h8-13,19H,5-7H2,1-4H3
InChIKeyKASLQUREOGKNRU-UHFFFAOYSA-N
MW391.19 g/mol
LogP6.08
Rot. Bonds7

About N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine

N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine (PubChem CID 60781481) has the molecular formula C16H25Br2N and a molecular weight of 391.19 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
PubChem CID60781481
Molecular FormulaC16H25Br2N
Molecular Weight391.19 g/mol
Exact Mass389.04
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H25Br2N/c1-11(2)6-5-7-12(3)19-13(4)15-9-8-14(17)10-16(15)18/h8-13,19H,5-7H2,1-4H3
InChIKeyKASLQUREOGKNRU-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.19
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
CID 60781473
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
CID 64604230
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 43099355
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 55193521
N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
CID 43081081
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine (CID 60781481) is N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine?
The InChIKey is KASLQUREOGKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2N/c1-11(2)6-5-7-12(3)19-13(4)15-9-8-14(17)10-16(15)18/h8-13,19H,5-7H2,1-4H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine?
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine has a molecular weight of 391.19 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine is sourced from PubChem (CID 60781481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).