2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

C16H28N2O — CID 115131743

IUPAC2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)(C)CN)cc1C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-15(2,3)13-10-12(8-9-14(13)19-7)18(6)16(4,5)11-17/h8-10H,11,17H2,1-7H3
InChIKeyTZBOUCYPZHOLCP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.17
Rot. Bonds4

About 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115131743) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115131743
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)(C)CN)cc1C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-15(2,3)13-10-12(8-9-14(13)19-7)18(6)16(4,5)11-17/h8-10H,11,17H2,1-7H3
InChIKeyTZBOUCYPZHOLCP-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201080
2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115596113
N-(3-tert-butyl-4-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193388
2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
CID 82048891
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226184
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 115118686
3-(3-bromo-4-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133943
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
CID 96672635
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
CID 82286004

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 115131743) is 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is COc1ccc(N(C)C(C)(C)CN)cc1C(C)(C)C.
What is the InChIKey of 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is TZBOUCYPZHOLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15(2,3)13-10-12(8-9-14(13)19-7)18(6)16(4,5)11-17/h8-10H,11,17H2,1-7H3.
What are the key properties of 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115131743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).