2-[3-(1-methylazepan-4-yl)phenyl]ethanol

C15H23NO — CID 117339022

IUPAC2-[3-(1-methylazepan-4-yl)phenyl]ethanol
SMILESCN1CCCC(c2cccc(CCO)c2)CC1
InChIInChI=1S/C15H23NO/c1-16-9-3-6-14(7-10-16)15-5-2-4-13(12-15)8-11-17/h2,4-5,12,14,17H,3,6-11H2,1H3
InChIKeyXGSMHCPSGHNYIA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.42
Rot. Bonds3

About 2-[3-(1-methylazepan-4-yl)phenyl]ethanol

2-[3-(1-methylazepan-4-yl)phenyl]ethanol (PubChem CID 117339022) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[3-(1-methylazepan-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(1-methylazepan-4-yl)phenyl]ethanol
PubChem CID117339022
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[3-(1-methylazepan-4-yl)phenyl]ethanol
SMILESCN1CCCC(c2cccc(CCO)c2)CC1
InChIInChI=1S/C15H23NO/c1-16-9-3-6-14(7-10-16)15-5-2-4-13(12-15)8-11-17/h2,4-5,12,14,17H,3,6-11H2,1H3
InChIKeyXGSMHCPSGHNYIA-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
CID 116988801
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
[1-[3-(1-methylazepan-4-yl)phenyl]cyclopropyl]methanamine
CID 117399945
(3-cycloheptylphenyl)methanol
CID 84672634
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
2-[3-(thiolan-3-yl)phenyl]ethanol
CID 84780337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylazepan-4-yl)phenyl]ethanol?
The IUPAC name of 2-[3-(1-methylazepan-4-yl)phenyl]ethanol (CID 117339022) is 2-[3-(1-methylazepan-4-yl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(1-methylazepan-4-yl)phenyl]ethanol?
The canonical SMILES for 2-[3-(1-methylazepan-4-yl)phenyl]ethanol is CN1CCCC(c2cccc(CCO)c2)CC1.
What is the InChIKey of 2-[3-(1-methylazepan-4-yl)phenyl]ethanol?
The InChIKey is XGSMHCPSGHNYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-9-3-6-14(7-10-16)15-5-2-4-13(12-15)8-11-17/h2,4-5,12,14,17H,3,6-11H2,1H3.
What are the key properties of 2-[3-(1-methylazepan-4-yl)phenyl]ethanol?
2-[3-(1-methylazepan-4-yl)phenyl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylazepan-4-yl)phenyl]ethanol is sourced from PubChem (CID 117339022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).