[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol

C16H26N2O2 — CID 116634275

IUPAC[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
SMILESNCc1ccc(OCCN2CCCCCC2CO)cc1
InChIInChI=1S/C16H26N2O2/c17-12-14-5-7-16(8-6-14)20-11-10-18-9-3-1-2-4-15(18)13-19/h5-8,15,19H,1-4,9-13,17H2
InChIKeyHYQNLVRABPNZFB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.76
Rot. Bonds6

About [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol

[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol (PubChem CID 116634275) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
PubChem CID116634275
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
SMILESNCc1ccc(OCCN2CCCCCC2CO)cc1
InChIInChI=1S/C16H26N2O2/c17-12-14-5-7-16(8-6-14)20-11-10-18-9-3-1-2-4-15(18)13-19/h5-8,15,19H,1-4,9-13,17H2
InChIKeyHYQNLVRABPNZFB-UHFFFAOYSA-N
XLogP1.76
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide
CID 61407004
1-[1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885724
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719
[1-[3-(3,4-dimethylphenoxy)propyl]azepan-2-yl]methanol
CID 116637387
2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
CID 63068600
[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
1-[2-(4-bromophenoxy)ethyl]-2-(chloromethyl)azepane
CID 116638587

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol (CID 116634275) is [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol is NCc1ccc(OCCN2CCCCCC2CO)cc1.
What is the InChIKey of [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol?
The InChIKey is HYQNLVRABPNZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-12-14-5-7-16(8-6-14)20-11-10-18-9-3-1-2-4-15(18)13-19/h5-8,15,19H,1-4,9-13,17H2.
What are the key properties of [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol?
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol is sourced from PubChem (CID 116634275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).