1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine

C14H24N2O — CID 55001536

IUPAC1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
SMILESCCC(C)N(CCOC)c1ccc(N)cc1C
InChIInChI=1S/C14H24N2O/c1-5-12(3)16(8-9-17-4)14-7-6-13(15)10-11(14)2/h6-7,10,12H,5,8-9,15H2,1-4H3
InChIKeyULWZOVMVYXNKJD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.83
Rot. Bonds6

About 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine

1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine (PubChem CID 55001536) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
PubChem CID55001536
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
SMILESCCC(C)N(CCOC)c1ccc(N)cc1C
InChIInChI=1S/C14H24N2O/c1-5-12(3)16(8-9-17-4)14-7-6-13(15)10-11(14)2/h6-7,10,12H,5,8-9,15H2,1-4H3
InChIKeyULWZOVMVYXNKJD-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 62122949
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine
CID 79893060
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
CID 79176590
(1R)-1-[3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanol
CID 63372750
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine (CID 55001536) is 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine is CCC(C)N(CCOC)c1ccc(N)cc1C.
What is the InChIKey of 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine?
The InChIKey is ULWZOVMVYXNKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-12(3)16(8-9-17-4)14-7-6-13(15)10-11(14)2/h6-7,10,12H,5,8-9,15H2,1-4H3.
What are the key properties of 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine?
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 55001536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).