1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

C14H24N2O — CID 115916626

IUPAC1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCOC(C)C(C)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C14H24N2O/c1-10-9-13(16(4)5)7-8-14(10)15-11(2)12(3)17-6/h7-9,11-12,15H,1-6H3
InChIKeyDZPIAHXGNDZQQV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.90
Rot. Bonds5

About 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 115916626) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID115916626
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCOC(C)C(C)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C14H24N2O/c1-10-9-13(16(4)5)7-8-14(10)15-11(2)12(3)17-6/h7-9,11-12,15H,1-6H3
InChIKeyDZPIAHXGNDZQQV-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103388013
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
CID 43779641
1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43779637
1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43677033
4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine
CID 43676865
4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 115916628
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline
CID 113259919
3-[1-[4-(dimethylamino)-2-methylanilino]ethyl]benzonitrile
CID 43779661
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
CID 94885289
2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
CID 43676976

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 115916626) is 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is COC(C)C(C)Nc1ccc(N(C)C)cc1C.
What is the InChIKey of 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is DZPIAHXGNDZQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-9-13(16(4)5)7-8-14(10)15-11(2)12(3)17-6/h7-9,11-12,15H,1-6H3.
What are the key properties of 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 115916626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).