4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol

C17H20BrNO2 — CID 43740703

IUPAC4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(C)(C)c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C17H20BrNO2/c1-17(2,13-5-7-14(18)8-6-13)19-11-12-4-9-15(20)16(10-12)21-3/h4-10,19-20H,11H2,1-3H3
InChIKeyLTVCLGPCIMXNPW-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.19
Rot. Bonds5

About 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol

4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol (PubChem CID 43740703) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
PubChem CID43740703
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(C)(C)c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C17H20BrNO2/c1-17(2,13-5-7-14(18)8-6-13)19-11-12-4-9-15(20)16(10-12)21-3/h4-10,19-20H,11H2,1-3H3
InChIKeyLTVCLGPCIMXNPW-UHFFFAOYSA-N
XLogP4.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
CID 105057861
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
4-[2-(ethylamino)propan-2-yl]-2-methoxyphenol
CID 163597748
2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277035
2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789418
4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol (CID 43740703) is 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol is COc1cc(CNC(C)(C)c2ccc(Br)cc2)ccc1O.
What is the InChIKey of 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol?
The InChIKey is LTVCLGPCIMXNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-17(2,13-5-7-14(18)8-6-13)19-11-12-4-9-15(20)16(10-12)21-3/h4-10,19-20H,11H2,1-3H3.
What are the key properties of 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol?
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol has a molecular weight of 350.26 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 43740703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).