3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine

C15H26N2O — CID 104864587

IUPAC3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOCC(NC(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(10-11-17(2)3)16-15(12-18-4)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3
InChIKeyYDIKRWXJNNAMDH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds8

About 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 104864587) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID104864587
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOCC(NC(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(10-11-17(2)3)16-15(12-18-4)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3
InChIKeyYDIKRWXJNNAMDH-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 103464122
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine
CID 114992039
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine
CID 171986460
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963370
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 104864587) is 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine is COCC(NC(C)CCN(C)C)c1ccccc1.
What is the InChIKey of 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is YDIKRWXJNNAMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(10-11-17(2)3)16-15(12-18-4)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3.
What are the key properties of 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 104864587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).