N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine

C13H20BrN — CID 81383492

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-4-10(2)9-15-11(3)12-7-5-6-8-13(12)14/h5-8,10-11,15H,4,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyVENFDWPFCRBEPI-DTIOYNMSSA-N
MW270.21 g/mol
LogP4.15
Rot. Bonds5

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

N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine (PubChem CID 81383492) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
PubChem CID81383492
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-4-10(2)9-15-11(3)12-7-5-6-8-13(12)14/h5-8,10-11,15H,4,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyVENFDWPFCRBEPI-DTIOYNMSSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787908
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192
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
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine (CID 81383492) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine is CCC(C)CN[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine?
The InChIKey is VENFDWPFCRBEPI-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-10(2)9-15-11(3)12-7-5-6-8-13(12)14/h5-8,10-11,15H,4,9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 81383492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).