1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine

C15H26N2O — CID 116935024

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1C(N)CNC(C)C
InChIInChI=1S/C15H26N2O/c1-10(2)12-6-7-15(18-5)13(8-12)14(16)9-17-11(3)4/h6-8,10-11,14,17H,9,16H2,1-5H3
InChIKeyLQKRLLDPOBCAEB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds6

About 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine

1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116935024) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID116935024
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1C(N)CNC(C)C
InChIInChI=1S/C15H26N2O/c1-10(2)12-6-7-15(18-5)13(8-12)14(16)9-17-11(3)4/h6-8,10-11,14,17H,9,16H2,1-5H3
InChIKeyLQKRLLDPOBCAEB-UHFFFAOYSA-N
XLogP2.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
CID 171216475
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 116935024) is 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine is COc1ccc(C(C)C)cc1C(N)CNC(C)C.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is LQKRLLDPOBCAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)12-6-7-15(18-5)13(8-12)14(16)9-17-11(3)4/h6-8,10-11,14,17H,9,16H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116935024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).