2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol

C17H26BrNO2 — CID 63455694

IUPAC2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
SMILESCCCC1CCC(NCc2cc(Br)c(O)c(OC)c2)CC1
InChIInChI=1S/C17H26BrNO2/c1-3-4-12-5-7-14(8-6-12)19-11-13-9-15(18)17(20)16(10-13)21-2/h9-10,12,14,19-20H,3-8,11H2,1-2H3
InChIKeyBVVFXZAKJMBONN-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.61
Rot. Bonds6

About 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol

2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol (PubChem CID 63455694) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
PubChem CID63455694
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
SMILESCCCC1CCC(NCc2cc(Br)c(O)c(OC)c2)CC1
InChIInChI=1S/C17H26BrNO2/c1-3-4-12-5-7-14(8-6-12)19-11-13-9-15(18)17(20)16(10-13)21-2/h9-10,12,14,19-20H,3-8,11H2,1-2H3
InChIKeyBVVFXZAKJMBONN-UHFFFAOYSA-N
XLogP4.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
2-bromo-6-methoxy-4-[[(2-propylcyclopropyl)amino]methyl]phenol
CID 103720652
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
2-bromo-4-[[(3-hydroxycyclohexyl)amino]methyl]-6-methoxyphenol
CID 43751145
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
2-bromo-4-[[3-(cyclopropylmethoxy)propylamino]methyl]-6-methoxyphenol
CID 28718642

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol (CID 63455694) is 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol is CCCC1CCC(NCc2cc(Br)c(O)c(OC)c2)CC1.
What is the InChIKey of 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol?
The InChIKey is BVVFXZAKJMBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-3-4-12-5-7-14(8-6-12)19-11-13-9-15(18)17(20)16(10-13)21-2/h9-10,12,14,19-20H,3-8,11H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol has a molecular weight of 356.30 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 63455694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).