2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol

C16H23BrN2O2 — CID 104973956

IUPAC2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN(CC2CCCN2)C2CC2)cc(Br)c1O
InChIInChI=1S/C16H23BrN2O2/c1-21-15-8-11(7-14(17)16(15)20)9-19(13-4-5-13)10-12-3-2-6-18-12/h7-8,12-13,18,20H,2-6,9-10H2,1H3
InChIKeyULLGLVVQXTYHLN-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.88
Rot. Bonds6

About 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol

2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol (PubChem CID 104973956) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol
PubChem CID104973956
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN(CC2CCCN2)C2CC2)cc(Br)c1O
InChIInChI=1S/C16H23BrN2O2/c1-21-15-8-11(7-14(17)16(15)20)9-19(13-4-5-13)10-12-3-2-6-18-12/h7-8,12-13,18,20H,2-6,9-10H2,1H3
InChIKeyULLGLVVQXTYHLN-UHFFFAOYSA-N
XLogP2.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621675
N-[(4-methoxy-3-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599006
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
N-[(5-chloro-2-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631571
N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 106602528
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599215
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621759
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol (CID 104973956) is 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol is COc1cc(CN(CC2CCCN2)C2CC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol?
The InChIKey is ULLGLVVQXTYHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-21-15-8-11(7-14(17)16(15)20)9-19(13-4-5-13)10-12-3-2-6-18-12/h7-8,12-13,18,20H,2-6,9-10H2,1H3.
What are the key properties of 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol?
2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol has a molecular weight of 355.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 104973956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).