1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol

C17H20BrNO2 — CID 62619697

IUPAC1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccccc1N(C)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-19(15-5-3-4-6-17(15)21-2)12-11-16(20)13-7-9-14(18)10-8-13/h3-10,16,20H,11-12H2,1-2H3
InChIKeyLIEQGURRTNKDFT-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol

1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol (PubChem CID 62619697) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
PubChem CID62619697
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccccc1N(C)CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-19(15-5-3-4-6-17(15)21-2)12-11-16(20)13-7-9-14(18)10-8-13/h3-10,16,20H,11-12H2,1-2H3
InChIKeyLIEQGURRTNKDFT-UHFFFAOYSA-N
XLogP4.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-N-propylaniline
CID 23198488
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
CID 63053456
methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805
1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 62911327
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide
CID 63053276
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol (CID 62619697) is 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol is COc1ccccc1N(C)CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol?
The InChIKey is LIEQGURRTNKDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19(15-5-3-4-6-17(15)21-2)12-11-16(20)13-7-9-14(18)10-8-13/h3-10,16,20H,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol?
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol is sourced from PubChem (CID 62619697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).