N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine

C15H26N2O — CID 55133810

IUPACN'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(11-10-16-13(2)3)12-14-6-8-15(18-4)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyJNDQYWTYISSUNK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine

N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 55133810) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
PubChem CID55133810
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(11-10-16-13(2)3)12-14-6-8-15(18-4)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyJNDQYWTYISSUNK-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986042
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
CID 105346595
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 103173261
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62554430
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64708022
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine (CID 55133810) is N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)Cc1ccc(OC)cc1.
What is the InChIKey of N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
The InChIKey is JNDQYWTYISSUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(11-10-16-13(2)3)12-14-6-8-15(18-4)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55133810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).