N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine

C19H24BrN — CID 81378024

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)N[C@H](C)c2ccccc2Br)c1
InChIInChI=1S/C19H24BrN/c1-14-7-6-8-17(13-14)12-11-15(2)21-16(3)18-9-4-5-10-19(18)20/h4-10,13,15-16,21H,11-12H2,1-3H3/t15?,16-/m1/s1
InChIKeyKEJVZUVKOWXBAY-OEMAIJDKSA-N
MW346.31 g/mol
LogP5.43
Rot. Bonds6

About N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine (PubChem CID 81378024) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
PubChem CID81378024
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)N[C@H](C)c2ccccc2Br)c1
InChIInChI=1S/C19H24BrN/c1-14-7-6-8-17(13-14)12-11-15(2)21-16(3)18-9-4-5-10-19(18)20/h4-10,13,15-16,21H,11-12H2,1-3H3/t15?,16-/m1/s1
InChIKeyKEJVZUVKOWXBAY-OEMAIJDKSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 61169749
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81378602
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 43504749
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine (CID 81378024) is N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)N[C@H](C)c2ccccc2Br)c1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The InChIKey is KEJVZUVKOWXBAY-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H24BrN/c1-14-7-6-8-17(13-14)12-11-15(2)21-16(3)18-9-4-5-10-19(18)20/h4-10,13,15-16,21H,11-12H2,1-3H3/t15?,16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine has a molecular weight of 346.31 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 81378024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).