N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine

C15H26N2O — CID 115199779

IUPACN'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(NCC(C)(C)CN)cc1C(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)13-8-12(6-7-14(13)18-5)17-10-15(3,4)9-16/h6-8,11,17H,9-10,16H2,1-5H3
InChIKeyRADRFRXTAYJNJE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.22
Rot. Bonds6

About N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine

N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 115199779) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID115199779
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(NCC(C)(C)CN)cc1C(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)13-8-12(6-7-14(13)18-5)17-10-15(3,4)9-16/h6-8,11,17H,9-10,16H2,1-5H3
InChIKeyRADRFRXTAYJNJE-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
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

2-(4-methoxy-3-propan-2-ylanilino)ethanethiol
CID 115223639
2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
CID 115250495
N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
CID 115213783
2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853493
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585
3-(3-chloro-4-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 80504258
5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
CID 115218860
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115141811

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine (CID 115199779) is N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine is COc1ccc(NCC(C)(C)CN)cc1C(C)C.
What is the InChIKey of N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is RADRFRXTAYJNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)13-8-12(6-7-14(13)18-5)17-10-15(3,4)9-16/h6-8,11,17H,9-10,16H2,1-5H3.
What are the key properties of N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine?
N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115199779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).