1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

C14H24N2O2 — CID 61453536

IUPAC1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-11(10-17-3)16(2)14(9-15)12-6-5-7-13(8-12)18-4/h5-8,11,14H,9-10,15H2,1-4H3
InChIKeyCOWHJFHKYMSAQC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.66
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (PubChem CID 61453536) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
PubChem CID61453536
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-11(10-17-3)16(2)14(9-15)12-6-5-7-13(8-12)18-4/h5-8,11,14H,9-10,15H2,1-4H3
InChIKeyCOWHJFHKYMSAQC-UHFFFAOYSA-N
XLogP1.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 115526828
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
N-methyl-N-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104598
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 16783431
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (CID 61453536) is 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is COCC(C)N(C)C(CN)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is COWHJFHKYMSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(10-17-3)16(2)14(9-15)12-6-5-7-13(8-12)18-4/h5-8,11,14H,9-10,15H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61453536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).