1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C15H26N2O — CID 103463479

IUPAC1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOCC(NCC(C)(C)N(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-15(2,17(3)4)12-16-14(11-18-5)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3
InChIKeyDSOBSHNPCUJHSP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds7

About 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 103463479) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID103463479
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOCC(NCC(C)(C)N(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-15(2,17(3)4)12-16-14(11-18-5)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3
InChIKeyDSOBSHNPCUJHSP-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-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

2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
CID 43100072
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide
CID 106334908
2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
CID 103464543
N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 116500789
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767790
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 103463479) is 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is COCC(NCC(C)(C)N(C)C)c1ccccc1.
What is the InChIKey of 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is DSOBSHNPCUJHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,17(3)4)12-16-14(11-18-5)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3.
What are the key properties of 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 103463479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).