2-methoxy-4-[(nonylamino)methyl]phenol

C17H29NO2 — CID 15788102

IUPAC2-methoxy-4-[(nonylamino)methyl]phenol
SMILESCCCCCCCCCNCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-12-18-14-15-10-11-16(19)17(13-15)20-2/h10-11,13,18-19H,3-9,12,14H2,1-2H3
InChIKeyROXNBKSOPQYADM-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.24
Rot. Bonds11

About 2-methoxy-4-[(nonylamino)methyl]phenol

2-methoxy-4-[(nonylamino)methyl]phenol (PubChem CID 15788102) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methoxy-4-[(nonylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(nonylamino)methyl]phenol
PubChem CID15788102
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methoxy-4-[(nonylamino)methyl]phenol
SMILESCCCCCCCCCNCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-12-18-14-15-10-11-16(19)17(13-15)20-2/h10-11,13,18-19H,3-9,12,14H2,1-2H3
InChIKeyROXNBKSOPQYADM-UHFFFAOYSA-N
XLogP4.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
CID 28646730
4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
CID 60865183
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(nonylamino)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(nonylamino)methyl]phenol (CID 15788102) is 2-methoxy-4-[(nonylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(nonylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(nonylamino)methyl]phenol is CCCCCCCCCNCc1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[(nonylamino)methyl]phenol?
The InChIKey is ROXNBKSOPQYADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-12-18-14-15-10-11-16(19)17(13-15)20-2/h10-11,13,18-19H,3-9,12,14H2,1-2H3.
What are the key properties of 2-methoxy-4-[(nonylamino)methyl]phenol?
2-methoxy-4-[(nonylamino)methyl]phenol has a molecular weight of 279.42 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(nonylamino)methyl]phenol is sourced from PubChem (CID 15788102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).