N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine

C16H28N2O — CID 168901210

IUPACN'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCOC)CCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-5-18(12-13-19-4)11-10-17(3)14-16-8-6-15(2)7-9-16/h6-9H,5,10-14H2,1-4H3
InChIKeyNSVBOPPYSHDHHB-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.40
Rot. Bonds9

About N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine

N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 168901210) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID168901210
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCOC)CCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-5-18(12-13-19-4)11-10-17(3)14-16-8-6-15(2)7-9-16/h6-9H,5,10-14H2,1-4H3
InChIKeyNSVBOPPYSHDHHB-UHFFFAOYSA-N
XLogP2.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 123976999
2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 63666093

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine (CID 168901210) is N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine is CCN(CCOC)CCN(C)Cc1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is NSVBOPPYSHDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(12-13-19-4)11-10-17(3)14-16-8-6-15(2)7-9-16/h6-9H,5,10-14H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 168901210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).