N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine

C15H26N2O — CID 55070560

IUPACN'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccccc1CN(C)CCCNC(C)C
InChIInChI=1S/C15H26N2O/c1-13(2)16-10-7-11-17(3)12-14-8-5-6-9-15(14)18-4/h5-6,8-9,13,16H,7,10-12H2,1-4H3
InChIKeyCPSYVYSNHDQRBJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine

N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine (PubChem CID 55070560) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
PubChem CID55070560
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccccc1CN(C)CCCNC(C)C
InChIInChI=1S/C15H26N2O/c1-13(2)16-10-7-11-17(3)12-14-8-5-6-9-15(14)18-4/h5-6,8-9,13,16H,7,10-12H2,1-4H3
InChIKeyCPSYVYSNHDQRBJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115464039
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60952867
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 63628429

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine (CID 55070560) is N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine is COc1ccccc1CN(C)CCCNC(C)C.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is CPSYVYSNHDQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)16-10-7-11-17(3)12-14-8-5-6-9-15(14)18-4/h5-6,8-9,13,16H,7,10-12H2,1-4H3.
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 55070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).