1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine

C14H24N2O — CID 115196249

IUPAC1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCC(C)N
InChIInChI=1S/C14H24N2O/c1-10(15)9-16-12-8-11(14(2,3)4)6-7-13(12)17-5/h6-8,10,16H,9,15H2,1-5H3
InChIKeyGOHMKFHAESKEBQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.75
Rot. Bonds4

About 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine

1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine (PubChem CID 115196249) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
PubChem CID115196249
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCC(C)N
InChIInChI=1S/C14H24N2O/c1-10(15)9-16-12-8-11(14(2,3)4)6-7-13(12)17-5/h6-8,10,16H,9,15H2,1-5H3
InChIKeyGOHMKFHAESKEBQ-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 115196243
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
CID 115196315
5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
CID 43681220
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
CID 115200968
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
3-(5-tert-butyl-2-methoxyanilino)propane-1-thiol
CID 115224564
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine (CID 115196249) is 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine is COc1ccc(C(C)(C)C)cc1NCC(C)N.
What is the InChIKey of 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine?
The InChIKey is GOHMKFHAESKEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(15)9-16-12-8-11(14(2,3)4)6-7-13(12)17-5/h6-8,10,16H,9,15H2,1-5H3.
What are the key properties of 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine?
1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 115196249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).