2-methoxy-4-[(3-phenylpropylamino)methyl]phenol

C17H21NO2 — CID 28646730

IUPAC2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
SMILESCOc1cc(CNCCCc2ccccc2)ccc1O
InChIInChI=1S/C17H21NO2/c1-20-17-12-15(9-10-16(17)19)13-18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3
InChIKeyLMGRXGQYFJEGIA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds7

About 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol

2-methoxy-4-[(3-phenylpropylamino)methyl]phenol (PubChem CID 28646730) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
PubChem CID28646730
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
SMILESCOc1cc(CNCCCc2ccccc2)ccc1O
InChIInChI=1S/C17H21NO2/c1-20-17-12-15(9-10-16(17)19)13-18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3
InChIKeyLMGRXGQYFJEGIA-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
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
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
4-[[3-(4-benzylpiperazin-1-yl)propylamino]methyl]-2-methoxyphenol
CID 118727082
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537
4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
CID 60865183
2-methoxy-5-[(3-phenylpropylamino)methyl]benzonitrile
CID 65336201
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544116
2-chloro-4-[(4-phenylbutylamino)methyl]phenol
CID 142098932
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol (CID 28646730) is 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol is COc1cc(CNCCCc2ccccc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol?
The InChIKey is LMGRXGQYFJEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-17-12-15(9-10-16(17)19)13-18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3.
What are the key properties of 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol?
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol is sourced from PubChem (CID 28646730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).