N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline

C18H32N2O — CID 62122949

IUPACN-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCCC(C)N(CCOC)c1ccc(CNC(C)C)cc1C
InChIInChI=1S/C18H32N2O/c1-7-16(5)20(10-11-21-6)18-9-8-17(12-15(18)4)13-19-14(2)3/h8-9,12,14,16,19H,7,10-11,13H2,1-6H3
InChIKeyUAXWPUYPDARGTI-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.74
Rot. Bonds9

About N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline

N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 62122949) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
PubChem CID62122949
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCCC(C)N(CCOC)c1ccc(CNC(C)C)cc1C
InChIInChI=1S/C18H32N2O/c1-7-16(5)20(10-11-21-6)18-9-8-17(12-15(18)4)13-19-14(2)3/h8-9,12,14,16,19H,7,10-11,13H2,1-6H3
InChIKeyUAXWPUYPDARGTI-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62463675
1-[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-3-methoxypropan-2-ol
CID 62124541
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 81149579
N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
CID 62120321
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
CID 115890541
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
2-bromo-N-butan-2-yl-4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)aniline
CID 62912370

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline (CID 62122949) is N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline is CCC(C)N(CCOC)c1ccc(CNC(C)C)cc1C.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is UAXWPUYPDARGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-16(5)20(10-11-21-6)18-9-8-17(12-15(18)4)13-19-14(2)3/h8-9,12,14,16,19H,7,10-11,13H2,1-6H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline?
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 292.47 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 62122949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).