(2S)-2-(4-bromophenoxy)propan-1-amine

C9H12BrNO — CID 20806721

IUPAC(2S)-2-(4-bromophenoxy)propan-1-amine
SMILESC[C@@H](CN)Oc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-7(6-11)12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3/t7-/m0/s1
InChIKeyZGLQWIALATZXIJ-ZETCQYMHSA-N
MW230.10 g/mol
LogP2.18
Rot. Bonds3

About (2S)-2-(4-bromophenoxy)propan-1-amine

(2S)-2-(4-bromophenoxy)propan-1-amine (PubChem CID 20806721) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)propan-1-amine
PubChem CID20806721
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(2S)-2-(4-bromophenoxy)propan-1-amine
SMILESC[C@@H](CN)Oc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-7(6-11)12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3/t7-/m0/s1
InChIKeyZGLQWIALATZXIJ-ZETCQYMHSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenoxyethanamine
CID 15651
1-Phenoxy-2-propanamine
CID 37087
4-Bromophenetole
CID 68523
4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
2-Bromoethyl p-bromophenyl ether
CID 87797
4-Butoxybromobenzene
CID 142395
1-Bromo-4-(propan-2-yloxy)benzene
CID 228088
(4-Bromophenoxy)acetonitrile
CID 598823
2-(2-Bromophenoxy)-N,N-dimethylethanamine
CID 888311
2-(4-bromophenoxy)-N,N-diethylethanamine
CID 423953
(2-(4-Bromophenoxy)ethyl)dimethylamine
CID 213877
1-Bromo-4-propoxybenzene
CID 2734198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)propan-1-amine?
The IUPAC name of (2S)-2-(4-bromophenoxy)propan-1-amine (CID 20806721) is (2S)-2-(4-bromophenoxy)propan-1-amine.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)propan-1-amine?
The canonical SMILES for (2S)-2-(4-bromophenoxy)propan-1-amine is C[C@@H](CN)Oc1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)propan-1-amine?
The InChIKey is ZGLQWIALATZXIJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7(6-11)12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)propan-1-amine?
(2S)-2-(4-bromophenoxy)propan-1-amine has a molecular weight of 230.10 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)propan-1-amine is sourced from PubChem (CID 20806721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).