[4-(2-cycloheptyloxyethoxy)phenyl]methanamine

C16H25NO2 — CID 61069915

IUPAC[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
SMILESNCc1ccc(OCCOC2CCCCCC2)cc1
InChIInChI=1S/C16H25NO2/c17-13-14-7-9-16(10-8-14)19-12-11-18-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-13,17H2
InChIKeyFKXGQAOBHFADMV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.26
Rot. Bonds6

About [4-(2-cycloheptyloxyethoxy)phenyl]methanamine

[4-(2-cycloheptyloxyethoxy)phenyl]methanamine (PubChem CID 61069915) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-(2-cycloheptyloxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
PubChem CID61069915
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
SMILESNCc1ccc(OCCOC2CCCCCC2)cc1
InChIInChI=1S/C16H25NO2/c17-13-14-7-9-16(10-8-14)19-12-11-18-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-13,17H2
InChIKeyFKXGQAOBHFADMV-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine
CID 61286758
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
1-(2-cyclopentyloxyethoxy)-4-ethenylbenzene
CID 57238623
3-[4-(2-cyclobutyloxyethoxy)phenyl]prop-2-yn-1-amine
CID 62140094
[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine
CID 81328051
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852

Frequently Asked Questions

What is the IUPAC name of [4-(2-cycloheptyloxyethoxy)phenyl]methanamine?
The IUPAC name of [4-(2-cycloheptyloxyethoxy)phenyl]methanamine (CID 61069915) is [4-(2-cycloheptyloxyethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-cycloheptyloxyethoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-cycloheptyloxyethoxy)phenyl]methanamine is NCc1ccc(OCCOC2CCCCCC2)cc1.
What is the InChIKey of [4-(2-cycloheptyloxyethoxy)phenyl]methanamine?
The InChIKey is FKXGQAOBHFADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c17-13-14-7-9-16(10-8-14)19-12-11-18-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-13,17H2.
What are the key properties of [4-(2-cycloheptyloxyethoxy)phenyl]methanamine?
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cycloheptyloxyethoxy)phenyl]methanamine is sourced from PubChem (CID 61069915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).