N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine

C14H22BrN — CID 43223398

IUPACN-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(C)c1ccccc1Br
InChIInChI=1S/C14H22BrN/c1-4-12(5-2)10-16-11(3)13-8-6-7-9-14(13)15/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyKQHNJIBSXNIZCE-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.54
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine

N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine (PubChem CID 43223398) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
PubChem CID43223398
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(C)c1ccccc1Br
InChIInChI=1S/C14H22BrN/c1-4-12(5-2)10-16-11(3)13-8-6-7-9-14(13)15/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyKQHNJIBSXNIZCE-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787908
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
N-[1-(2-bromophenyl)ethyl]but-2-yn-1-amine
CID 115865718
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine (CID 43223398) is N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine is CCC(CC)CNC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine?
The InChIKey is KQHNJIBSXNIZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-12(5-2)10-16-11(3)13-8-6-7-9-14(13)15/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine?
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 43223398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).