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

C15H26N2O — CID 115195968

IUPACN'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)14-11-13(5-6-15(14)18-4)7-8-17-10-9-16-3/h5-6,11-12,16-17H,7-10H2,1-4H3
InChIKeyGNGYAMPRMOBVFF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds8

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

N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 115195968) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID115195968
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)14-11-13(5-6-15(14)18-4)7-8-17-10-9-16-3/h5-6,11-12,16-17H,7-10H2,1-4H3
InChIKeyGNGYAMPRMOBVFF-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
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

3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
CID 115232859
1-chloro-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-ol
CID 151046701
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine (CID 115195968) is N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine is CNCCNCCc1ccc(OC)c(C(C)C)c1.
What is the InChIKey of N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is GNGYAMPRMOBVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)14-11-13(5-6-15(14)18-4)7-8-17-10-9-16-3/h5-6,11-12,16-17H,7-10H2,1-4H3.
What are the key properties of N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine?
N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 8 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)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 115195968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).