(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine

C11H16BrN — CID 131011695

IUPAC(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3/t8?,11-/m1/s1
InChIKeyFINVVYOKTXBJLV-QHDYGNBISA-N
MW242.16 g/mol
LogP3.49
Rot. Bonds3

About (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine

(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine (PubChem CID 131011695) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
PubChem CID131011695
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3/t8?,11-/m1/s1
InChIKeyFINVVYOKTXBJLV-QHDYGNBISA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221336
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(1S)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217927
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine (CID 131011695) is (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine?
The InChIKey is FINVVYOKTXBJLV-QHDYGNBISA-N. The full InChI is InChI=1S/C11H16BrN/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3/t8?,11-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine?
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 131011695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).