2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol

C17H27NO2 — CID 82980525

IUPAC2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
SMILESCCCC1CCCN(Cc2ccc(OC)c(O)c2)CC1
InChIInChI=1S/C17H27NO2/c1-3-5-14-6-4-10-18(11-9-14)13-15-7-8-17(20-2)16(19)12-15/h7-8,12,14,19H,3-6,9-11,13H2,1-2H3
InChIKeyZMXGBBFMTBIAHW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.80
Rot. Bonds5

About 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol

2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol (PubChem CID 82980525) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
PubChem CID82980525
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
SMILESCCCC1CCCN(Cc2ccc(OC)c(O)c2)CC1
InChIInChI=1S/C17H27NO2/c1-3-5-14-6-4-10-18(11-9-14)13-15-7-8-17(20-2)16(19)12-15/h7-8,12,14,19H,3-6,9-11,13H2,1-2H3
InChIKeyZMXGBBFMTBIAHW-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol (CID 82980525) is 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol is CCCC1CCCN(Cc2ccc(OC)c(O)c2)CC1.
What is the InChIKey of 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol?
The InChIKey is ZMXGBBFMTBIAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-5-14-6-4-10-18(11-9-14)13-15-7-8-17(20-2)16(19)12-15/h7-8,12,14,19H,3-6,9-11,13H2,1-2H3.
What are the key properties of 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol?
2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol has a molecular weight of 277.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol is sourced from PubChem (CID 82980525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).