(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine

C10H14BrN — CID 94460671

IUPAC(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3/t8-/m1/s1
InChIKeyWNWPZOPYROHQCF-MRVPVSSYSA-N
MW228.13 g/mol
LogP2.59
Rot. Bonds3

About (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine

(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine (PubChem CID 94460671) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
PubChem CID94460671
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3/t8-/m1/s1
InChIKeyWNWPZOPYROHQCF-MRVPVSSYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-phenylpropan-1-amine
CID 12672558
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
2-[(4-bromophenyl)methyl]-4-methylheptan-1-amine
CID 63497937
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
2-[(4-bromophenyl)methyl]pentan-1-amine
CID 62505880
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072267
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 83637269

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine?
The IUPAC name of (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine (CID 94460671) is (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine?
The canonical SMILES for (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine is C[C@@H](CN)Cc1ccc(Br)cc1.
What is the InChIKey of (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine?
The InChIKey is WNWPZOPYROHQCF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine?
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine has a molecular weight of 228.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 94460671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).