N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline

C18H32N2O — CID 62122948

IUPACN-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CCOC)C(C)CC)c(C)c1
InChIInChI=1S/C18H32N2O/c1-6-10-19-14-17-8-9-18(15(3)13-17)20(11-12-21-5)16(4)7-2/h8-9,13,16,19H,6-7,10-12,14H2,1-5H3
InChIKeyVQYYFKUPVBQXNN-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.75
Rot. Bonds10

About N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline

N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline (PubChem CID 62122948) 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-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
PubChem CID62122948
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CCOC)C(C)CC)c(C)c1
InChIInChI=1S/C18H32N2O/c1-6-10-19-14-17-8-9-18(15(3)13-17)20(11-12-21-5)16(4)7-2/h8-9,13,16,19H,6-7,10-12,14H2,1-5H3
InChIKeyVQYYFKUPVBQXNN-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 62122949
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
N-(2-methoxyethyl)-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 82952306
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline (CID 62122948) is N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(CCOC)C(C)CC)c(C)c1.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline?
The InChIKey is VQYYFKUPVBQXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-10-19-14-17-8-9-18(15(3)13-17)20(11-12-21-5)16(4)7-2/h8-9,13,16,19H,6-7,10-12,14H2,1-5H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline?
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline has a molecular weight of 292.47 g/mol, XLogP of 3.75, 10 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-(propylaminomethyl)aniline is sourced from PubChem (CID 62122948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).