(3-amino-2-bromophenyl)-(4-propylphenyl)methanone

C16H16BrNO — CID 113367205

IUPAC(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(N)c2Br)cc1
InChIInChI=1S/C16H16BrNO/c1-2-4-11-7-9-12(10-8-11)16(19)13-5-3-6-14(18)15(13)17/h3,5-10H,2,4,18H2,1H3
InChIKeyZQKGOHNTSRBPHA-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.21
Rot. Bonds4

About (3-amino-2-bromophenyl)-(4-propylphenyl)methanone

(3-amino-2-bromophenyl)-(4-propylphenyl)methanone (PubChem CID 113367205) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is (3-amino-2-bromophenyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
PubChem CID113367205
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(N)c2Br)cc1
InChIInChI=1S/C16H16BrNO/c1-2-4-11-7-9-12(10-8-11)16(19)13-5-3-6-14(18)15(13)17/h3,5-10H,2,4,18H2,1H3
InChIKeyZQKGOHNTSRBPHA-UHFFFAOYSA-N
XLogP4.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone
CID 114029910
(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
CID 102706964
3-amino-2-bromo-N-methylbenzamide
CID 100681188
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
(3-amino-2-bromophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 113367216
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
CID 43462756
(2-bromofuran-3-yl)-(4-butylphenyl)methanone
CID 106851240
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
(2-aminophenyl)-phenylmethanone
CID 158207972
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bromophenyl)-(4-propylphenyl)methanone?
The IUPAC name of (3-amino-2-bromophenyl)-(4-propylphenyl)methanone (CID 113367205) is (3-amino-2-bromophenyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (3-amino-2-bromophenyl)-(4-propylphenyl)methanone?
The canonical SMILES for (3-amino-2-bromophenyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2cccc(N)c2Br)cc1.
What is the InChIKey of (3-amino-2-bromophenyl)-(4-propylphenyl)methanone?
The InChIKey is ZQKGOHNTSRBPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-2-4-11-7-9-12(10-8-11)16(19)13-5-3-6-14(18)15(13)17/h3,5-10H,2,4,18H2,1H3.
What are the key properties of (3-amino-2-bromophenyl)-(4-propylphenyl)methanone?
(3-amino-2-bromophenyl)-(4-propylphenyl)methanone has a molecular weight of 318.21 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bromophenyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 113367205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).