N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine

C19H32N2O2 — CID 70585508

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCc1ccc(OC)cc1)CC1CCCO1
InChIInChI=1S/C19H32N2O2/c1-3-13-21(16-19-5-4-15-23-19)14-12-20-11-10-17-6-8-18(22-2)9-7-17/h6-9,19-20H,3-5,10-16H2,1-2H3
InChIKeyWDDYPHUOAHGAKR-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.72
Rot. Bonds11

About N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine

N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine (PubChem CID 70585508) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
PubChem CID70585508
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCc1ccc(OC)cc1)CC1CCCO1
InChIInChI=1S/C19H32N2O2/c1-3-13-21(16-19-5-4-15-23-19)14-12-20-11-10-17-6-8-18(22-2)9-7-17/h6-9,19-20H,3-5,10-16H2,1-2H3
InChIKeyWDDYPHUOAHGAKR-UHFFFAOYSA-N
XLogP2.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
CID 25364429
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)-N-propylpropanamide
CID 24790274
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149638
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962866
N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 92595723
3-(4-cyanophenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea
CID 72872389
3-(4-cyanophenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97437781
(2R)-1-[(4-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93160616

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine (CID 70585508) is N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine is CCCN(CCNCCc1ccc(OC)cc1)CC1CCCO1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine?
The InChIKey is WDDYPHUOAHGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-13-21(16-19-5-4-15-23-19)14-12-20-11-10-17-6-8-18(22-2)9-7-17/h6-9,19-20H,3-5,10-16H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine?
N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine has a molecular weight of 320.48 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 70585508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).