N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine

C16H28N2O — CID 115195585

IUPACN'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)CNCCN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)14-10-13(6-7-15(14)19-5)16(3,4)11-18-9-8-17/h6-7,10,12,18H,8-9,11,17H2,1-5H3
InChIKeyBHOQODGZUIPAPX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.64
Rot. Bonds7

About N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine

N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine (PubChem CID 115195585) 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]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
PubChem CID115195585
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)CNCCN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)14-10-13(6-7-15(14)19-5)16(3,4)11-18-9-8-17/h6-7,10,12,18H,8-9,11,17H2,1-5H3
InChIKeyBHOQODGZUIPAPX-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227470
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
1-N-[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199716
3-[[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115217257
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82131743
4-[[2-(4-methoxy-3-methylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232114
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199779
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261404
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine (CID 115195585) is N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine is COc1ccc(C(C)(C)CNCCN)cc1C(C)C.
What is the InChIKey of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine?
The InChIKey is BHOQODGZUIPAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)14-10-13(6-7-15(14)19-5)16(3,4)11-18-9-8-17/h6-7,10,12,18H,8-9,11,17H2,1-5H3.
What are the key properties of N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine?
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.64, 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]ethane-1,2-diamine is sourced from PubChem (CID 115195585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).