N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C15H26N2O — CID 115252382

IUPACN'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(N(C)CC(CN)C(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-11(2)13(9-16)10-17(4)14-6-7-15(18-5)12(3)8-14/h6-8,11,13H,9-10,16H2,1-5H3
InChIKeyCDXXIOVEEXBDKT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.67
Rot. Bonds6

About N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252382) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252382
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(N(C)CC(CN)C(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-11(2)13(9-16)10-17(4)14-6-7-15(18-5)12(3)8-14/h6-8,11,13H,9-10,16H2,1-5H3
InChIKeyCDXXIOVEEXBDKT-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
N'-(4-bromophenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252380
2-[(4-methoxy-N,3-dimethylanilino)methyl]butanoic acid
CID 115249788
N'-(2-methoxy-3,5-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252419
N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252439
(2S)-2-(4-methoxy-N,3-dimethylanilino)propanoic acid
CID 91455693
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
N-(3-chloro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202409
N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202419
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205218
3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135188
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 115252382) is N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is COc1ccc(N(C)CC(CN)C(C)C)cc1C.
What is the InChIKey of N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is CDXXIOVEEXBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)13(9-16)10-17(4)14-6-7-15(18-5)12(3)8-14/h6-8,11,13H,9-10,16H2,1-5H3.
What are the key properties of N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).