N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine

C15H26N2O — CID 43274304

IUPACN-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-12(3)17(6-2)14(11-16)13-9-7-8-10-15(13)18-4/h7-10,12,14H,5-6,11,16H2,1-4H3
InChIKeyWTZGFIUITJEBGE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds7

About N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine

N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 43274304) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID43274304
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-12(3)17(6-2)14(11-16)13-9-7-8-10-15(13)18-4/h7-10,12,14H,5-6,11,16H2,1-4H3
InChIKeyWTZGFIUITJEBGE-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
1-(2-methoxyphenyl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60890601
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
1-(2-ethoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569806
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
1-(2,3-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273499
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine
CID 61099083
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine (CID 43274304) is N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine is CCC(C)N(CC)C(CN)c1ccccc1OC.
What is the InChIKey of N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is WTZGFIUITJEBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-12(3)17(6-2)14(11-16)13-9-7-8-10-15(13)18-4/h7-10,12,14H,5-6,11,16H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43274304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).