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

C16H28N2O — CID 115202419

IUPACN-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(N(C)CC(C)CCN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)15-10-14(6-7-16(15)19-5)18(4)11-13(3)8-9-17/h6-7,10,12-13H,8-9,11,17H2,1-5H3
InChIKeyQIADYZHSRSVODZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.24
Rot. Bonds7

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

N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine (PubChem CID 115202419) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
PubChem CID115202419
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(N(C)CC(C)CCN)cc1C(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)15-10-14(6-7-16(15)19-5)18(4)11-13(3)8-9-17/h6-7,10,12-13H,8-9,11,17H2,1-5H3
InChIKeyQIADYZHSRSVODZ-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.24
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-chloro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202409
4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
CID 115258339
2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
CID 115259761
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138007
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 112510134
N,2-dimethyl-N-(4-phenylphenyl)butane-1,4-diamine
CID 115202433
(E)-4-(4-methoxy-N-methyl-3-propan-2-ylanilino)but-2-enoic acid
CID 115236974
N'-(3-fluoro-4-methoxyphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203044
N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 115202469
2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine (CID 115202419) is N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine is COc1ccc(N(C)CC(C)CCN)cc1C(C)C.
What is the InChIKey of N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine?
The InChIKey is QIADYZHSRSVODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)15-10-14(6-7-16(15)19-5)18(4)11-13(3)8-9-17/h6-7,10,12-13H,8-9,11,17H2,1-5H3.
What are the key properties of N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine?
N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).