1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C14H22N2O2 — CID 65378177

IUPAC1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CN)NCC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-17-12-5-2-4-11(8-12)14(9-15)16-10-13-6-3-7-18-13/h2,4-5,8,13-14,16H,3,6-7,9-10,15H2,1H3
InChIKeyAKPKUKDDDGCYKQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.46
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65378177) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID65378177
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CN)NCC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-17-12-5-2-4-11(8-12)14(9-15)16-10-13-6-3-7-18-13/h2,4-5,8,13-14,16H,3,6-7,9-10,15H2,1H3
InChIKeyAKPKUKDDDGCYKQ-UHFFFAOYSA-N
XLogP1.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine 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

1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65376730
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106494105
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115524394
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
1-(3-methoxyphenyl)-1-(oxolan-2-ylmethylsulfanyl)butan-2-amine
CID 106494112
methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 65378177) is 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is COc1cccc(C(CN)NCC2CCCO2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is AKPKUKDDDGCYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-12-5-2-4-11(8-12)14(9-15)16-10-13-6-3-7-18-13/h2,4-5,8,13-14,16H,3,6-7,9-10,15H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65378177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).