(2S)-1-(4-bromophenyl)pentan-2-amine

C11H16BrN — CID 104932340

IUPAC(2S)-1-(4-bromophenyl)pentan-2-amine
SMILESCCC[C@H](N)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3/t11-/m0/s1
InChIKeyPMENNXJDPYJTRH-NSHDSACASA-N
MW242.16 g/mol
LogP3.12
Rot. Bonds4

About (2S)-1-(4-bromophenyl)pentan-2-amine

(2S)-1-(4-bromophenyl)pentan-2-amine (PubChem CID 104932340) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is (2S)-1-(4-bromophenyl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-bromophenyl)pentan-2-amine
PubChem CID104932340
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name(2S)-1-(4-bromophenyl)pentan-2-amine
SMILESCCC[C@H](N)Cc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3/t11-/m0/s1
InChIKeyPMENNXJDPYJTRH-NSHDSACASA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)pentan-2-amine
CID 60820343
1-(4-iodophenyl)pentan-2-amine
CID 65478921
1-(4-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62606824
3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride
CID 69162278
2-[(4-bromophenyl)methyl]pentan-1-amine
CID 62505880
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
ethyl (4R)-4-amino-5-(4-bromophenyl)-2-hydroxypentanoate
CID 126659714
ethyl (3R)-3-amino-4-(4-bromophenyl)butanoate
CID 59607859
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
[2-amino-3-(4-bromophenyl)propyl] propanoate
CID 151801688
2-[(4-bromophenyl)methyl]-4-methylheptan-1-amine
CID 63497937
1-(4-bromophenyl)pent-4-yn-2-amine
CID 62232609

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenyl)pentan-2-amine?
The IUPAC name of (2S)-1-(4-bromophenyl)pentan-2-amine (CID 104932340) is (2S)-1-(4-bromophenyl)pentan-2-amine.
What is the SMILES notation for (2S)-1-(4-bromophenyl)pentan-2-amine?
The canonical SMILES for (2S)-1-(4-bromophenyl)pentan-2-amine is CCC[C@H](N)Cc1ccc(Br)cc1.
What is the InChIKey of (2S)-1-(4-bromophenyl)pentan-2-amine?
The InChIKey is PMENNXJDPYJTRH-NSHDSACASA-N. The full InChI is InChI=1S/C11H16BrN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(4-bromophenyl)pentan-2-amine?
(2S)-1-(4-bromophenyl)pentan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromophenyl)pentan-2-amine is sourced from PubChem (CID 104932340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).