1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine

C17H19BrClNO — CID 63459943

IUPAC1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
SMILESCc1cc(OC(c2cccc(Br)c2)C(C)N)cc(C)c1Cl
InChIInChI=1S/C17H19BrClNO/c1-10-7-15(8-11(2)16(10)19)21-17(12(3)20)13-5-4-6-14(18)9-13/h4-9,12,17H,20H2,1-3H3
InChIKeyQJNPTHAPSANPEW-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.19
Rot. Bonds4

About 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine

1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine (PubChem CID 63459943) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
PubChem CID63459943
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
SMILESCc1cc(OC(c2cccc(Br)c2)C(C)N)cc(C)c1Cl
InChIInChI=1S/C17H19BrClNO/c1-10-7-15(8-11(2)16(10)19)21-17(12(3)20)13-5-4-6-14(18)9-13/h4-9,12,17H,20H2,1-3H3
InChIKeyQJNPTHAPSANPEW-UHFFFAOYSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
CID 63461552
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
1-(3-bromophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 55014732
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55018053
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
CID 107283449
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
CID 82954803

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine (CID 63459943) is 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine is Cc1cc(OC(c2cccc(Br)c2)C(C)N)cc(C)c1Cl.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine?
The InChIKey is QJNPTHAPSANPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-10-7-15(8-11(2)16(10)19)21-17(12(3)20)13-5-4-6-14(18)9-13/h4-9,12,17H,20H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine?
1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine has a molecular weight of 368.70 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine is sourced from PubChem (CID 63459943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).