1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine

C15H26N2O — CID 70907000

IUPAC1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCOc1ccccc1CN(C)CC(CC)NC
InChIInChI=1S/C15H26N2O/c1-5-14(16-3)12-17(4)11-13-9-7-8-10-15(13)18-6-2/h7-10,14,16H,5-6,11-12H2,1-4H3
InChIKeyATVRTWZLCMDSMZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine

1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 70907000) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
PubChem CID70907000
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCCOc1ccccc1CN(C)CC(CC)NC
InChIInChI=1S/C15H26N2O/c1-5-14(16-3)12-17(4)11-13-9-7-8-10-15(13)18-6-2/h7-10,14,16H,5-6,11-12H2,1-4H3
InChIKeyATVRTWZLCMDSMZ-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

methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 60966567
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
CID 62043369
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
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CID 54873676
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 63619044
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
N-methyl-1-(2-propoxyphenyl)pentan-3-amine
CID 104662744
2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
CID 62014901
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62039915
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine (CID 70907000) is 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine is CCOc1ccccc1CN(C)CC(CC)NC.
What is the InChIKey of 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is ATVRTWZLCMDSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-14(16-3)12-17(4)11-13-9-7-8-10-15(13)18-6-2/h7-10,14,16H,5-6,11-12H2,1-4H3.
What are the key properties of 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine?
1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-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 1-N-[(2-ethoxyphenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 70907000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).