1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine

C14H24N2O2 — CID 55141844

IUPAC1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCOCCCN(C)C(CN)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-16(8-5-9-17-2)14(11-15)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,15H2,1-3H3
InChIKeyQFNJTNFJUOJOJG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.66
Rot. Bonds8

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

1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine (PubChem CID 55141844) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
PubChem CID55141844
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCOCCCN(C)C(CN)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-16(8-5-9-17-2)14(11-15)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,15H2,1-3H3
InChIKeyQFNJTNFJUOJOJG-UHFFFAOYSA-N
XLogP1.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
1-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 105404971
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
1-[4-(difluoromethoxy)phenyl]-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62983749
1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 104816327
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
CID 63968924
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine (CID 55141844) is 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine is COCCCN(C)C(CN)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
The InChIKey is QFNJTNFJUOJOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(8-5-9-17-2)14(11-15)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,15H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine?
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 55141844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).