N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine

C17H28N2O2 — CID 65159037

IUPACN'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)CCCC1CCCO1
InChIInChI=1S/C17H28N2O2/c1-20-17-10-3-2-9-16(17)19(13-6-11-18)12-4-7-15-8-5-14-21-15/h2-3,9-10,15H,4-8,11-14,18H2,1H3
InChIKeyWTDUEEMJONPTSP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.81
Rot. Bonds9

About N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine

N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine (PubChem CID 65159037) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
PubChem CID65159037
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)CCCC1CCCO1
InChIInChI=1S/C17H28N2O2/c1-20-17-10-3-2-9-16(17)19(13-6-11-18)12-4-7-15-8-5-14-21-15/h2-3,9-10,15H,4-8,11-14,18H2,1H3
InChIKeyWTDUEEMJONPTSP-UHFFFAOYSA-N
XLogP2.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 61481368
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 125166387
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
N-[2-(1,3-dioxan-2-yl)ethyl]-2-methoxy-N-methylaniline
CID 66472307
2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane
CID 66042561
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
[1-(4-fluoro-3-methoxyphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314077

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine (CID 65159037) is N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine is COc1ccccc1N(CCCN)CCCC1CCCO1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The InChIKey is WTDUEEMJONPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-20-17-10-3-2-9-16(17)19(13-6-11-18)12-4-7-15-8-5-14-21-15/h2-3,9-10,15H,4-8,11-14,18H2,1H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 65159037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).