N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine

C16H28N2O — CID 115227470

IUPACN'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCNCNCC(C)(C)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-12(2)14-9-13(7-8-15(14)19-6)16(3,4)10-18-11-17-5/h7-9,12,17-18H,10-11H2,1-6H3
InChIKeyLHHLJFJDNQWFAC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.86
Rot. Bonds7

About N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine

N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine (PubChem CID 115227470) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
PubChem CID115227470
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
SMILESCNCNCC(C)(C)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-12(2)14-9-13(7-8-15(14)19-6)16(3,4)10-18-11-17-5/h7-9,12,17-18H,10-11H2,1-6H3
InChIKeyLHHLJFJDNQWFAC-UHFFFAOYSA-N
XLogP2.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261404
2-[[2-(3-chloro-4-methoxyphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131477
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
CID 117473718
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947893
2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82131743
1-N-[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199716
N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195968

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine (CID 115227470) is N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine is CNCNCC(C)(C)c1ccc(OC)c(C(C)C)c1.
What is the InChIKey of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine?
The InChIKey is LHHLJFJDNQWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)14-9-13(7-8-15(14)19-6)16(3,4)10-18-11-17-5/h7-9,12,17-18H,10-11H2,1-6H3.
What are the key properties of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine?
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine has a molecular weight of 264.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine is sourced from PubChem (CID 115227470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).