2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C15H27N3O — CID 103189509

IUPAC2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1ccc(OC)cc1N)C(C)CN(C)C
InChIInChI=1S/C15H27N3O/c1-6-18(12(2)10-17(3)4)11-13-7-8-14(19-5)9-15(13)16/h7-9,12H,6,10-11,16H2,1-5H3
InChIKeyCOHQCCOYHTYVHI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.05
Rot. Bonds7

About 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189509) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189509
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1ccc(OC)cc1N)C(C)CN(C)C
InChIInChI=1S/C15H27N3O/c1-6-18(12(2)10-17(3)4)11-13-7-8-14(19-5)9-15(13)16/h7-9,12H,6,10-11,16H2,1-5H3
InChIKeyCOHQCCOYHTYVHI-UHFFFAOYSA-N
XLogP2.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
CID 113305237
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
2-N-[2-amino-2-(3-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188425
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 113305256
2-[(N-butylanilino)methyl]-5-methoxyaniline
CID 115414199
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189509) is 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(Cc1ccc(OC)cc1N)C(C)CN(C)C.
What is the InChIKey of 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is COHQCCOYHTYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-18(12(2)10-17(3)4)11-13-7-8-14(19-5)9-15(13)16/h7-9,12H,6,10-11,16H2,1-5H3.
What are the key properties of 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).