N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

C16H26N2O2 — CID 62555855

IUPACN'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCOc1cccc(N(C)CCNC(C)C2CCCO2)c1
InChIInChI=1S/C16H26N2O2/c1-13(16-8-5-11-20-16)17-9-10-18(2)14-6-4-7-15(12-14)19-3/h4,6-7,12-13,16-17H,5,8-11H2,1-3H3
InChIKeyNRTCQOJNNRAAKX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds7

About N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 62555855) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID62555855
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCOc1cccc(N(C)CCNC(C)C2CCCO2)c1
InChIInChI=1S/C16H26N2O2/c1-13(16-8-5-11-20-16)17-9-10-18(2)14-6-4-7-15(12-14)19-3/h4,6-7,12-13,16-17H,5,8-11H2,1-3H3
InChIKeyNRTCQOJNNRAAKX-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]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

N-[2-(1,3-dioxan-2-yl)ethyl]-3-methoxy-N-methylaniline
CID 66472308
1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571805
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
CID 78969051
(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
CID 95567925
N',N'-bis(2-methoxyethyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62561783
1-(3-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675898
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598523
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62554677
1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 104745745
N-methyl-2-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 99777488

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (CID 62555855) is N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is COc1cccc(N(C)CCNC(C)C2CCCO2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is NRTCQOJNNRAAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(16-8-5-11-20-16)17-9-10-18(2)14-6-4-7-15(12-14)19-3/h4,6-7,12-13,16-17H,5,8-11H2,1-3H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62555855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).