2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride

C14H22ClNO2 — CID 2904909

IUPAC2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
SMILESCOc1ccc(CCNCC2CCCO2)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-16-13-6-4-12(5-7-13)8-9-15-11-14-3-2-10-17-14;/h4-7,14-15H,2-3,8-11H2,1H3;1H
InChIKeyAELUJRMLOQTIPA-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride

2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 2904909) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
PubChem CID2904909
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
SMILESCOc1ccc(CCNCC2CCCO2)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-16-13-6-4-12(5-7-13)8-9-15-11-14-3-2-10-17-14;/h4-7,14-15H,2-3,8-11H2,1H3;1H
InChIKeyAELUJRMLOQTIPA-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 70585508
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 119948139
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60614284
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride (CID 2904909) is 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride is COc1ccc(CCNCC2CCCO2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is AELUJRMLOQTIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-16-13-6-4-12(5-7-13)8-9-15-11-14-3-2-10-17-14;/h4-7,14-15H,2-3,8-11H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride?
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 2904909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).