2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol

C18H23NO — CID 122185212

IUPAC2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol
SMILESCN(C)Cc1ccc(CCCc2ccccc2)cc1O
InChIInChI=1S/C18H23NO/c1-19(2)14-17-12-11-16(13-18(17)20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13,20H,6,9-10,14H2,1-2H3
InChIKeyHVQTZXHHCRZYBT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.63
Rot. Bonds6

About 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol

2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol (PubChem CID 122185212) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol
PubChem CID122185212
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol
SMILESCN(C)Cc1ccc(CCCc2ccccc2)cc1O
InChIInChI=1S/C18H23NO/c1-19(2)14-17-12-11-16(13-18(17)20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13,20H,6,9-10,14H2,1-2H3
InChIKeyHVQTZXHHCRZYBT-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Desvenlafaxine
CID 125017
Tapentadol
CID 9838022
Desmetramadol
CID 9838803
Nap-226-90
CID 445892
3-(1-(1-Piperidinyl)cyclohexyl)phenol
CID 133277
Phenol, 3-(2-((2-phenylethyl)propylamino)ethyl)-, hydrochloride (1:1)
CID 114875
1-Dimethylaminomethyl-2-naphthol
CID 223180
HS665
CID 71452041
1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
3-(2-((Dimethylamino)methyl)-1-hydroxycyclohexyl)phenol
CID 130829
1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
CID 94986
N,N-bis[2-hydroxybenzyl]amine
CID 230856

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol?
The IUPAC name of 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol (CID 122185212) is 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol is CN(C)Cc1ccc(CCCc2ccccc2)cc1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol?
The InChIKey is HVQTZXHHCRZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(2)14-17-12-11-16(13-18(17)20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13,20H,6,9-10,14H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol?
2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol has a molecular weight of 269.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-(3-phenylpropyl)phenol is sourced from PubChem (CID 122185212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).