4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine

C18H24N2O — CID 63671361

IUPAC4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(C)Cc2cccc(C)c2)ccc1N
InChIInChI=1S/C18H24N2O/c1-4-10-21-18-12-16(8-9-17(18)19)20(3)13-15-7-5-6-14(2)11-15/h5-9,11-12H,4,10,13,19H2,1-3H3
InChIKeyRSDFLUZXNSRNBW-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.00
Rot. Bonds6

About 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine

4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine (PubChem CID 63671361) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine
PubChem CID63671361
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(C)Cc2cccc(C)c2)ccc1N
InChIInChI=1S/C18H24N2O/c1-4-10-21-18-12-16(8-9-17(18)19)20(3)13-15-7-5-6-14(2)11-15/h5-9,11-12H,4,10,13,19H2,1-3H3
InChIKeyRSDFLUZXNSRNBW-UHFFFAOYSA-N
XLogP4.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83004680
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
3-[(4-amino-3-ethoxy-N-methylanilino)methyl]benzonitrile
CID 63675919
4-methyl-2-propoxyaniline
CID 24698653
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63879433
4-(3-methylphenyl)sulfanyl-2-propoxyaniline
CID 55233170
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
6-[(1S)-1-aminopropyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 103937054
4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671602
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 83122827

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine (CID 63671361) is 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine is CCCOc1cc(N(C)Cc2cccc(C)c2)ccc1N.
What is the InChIKey of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine?
The InChIKey is RSDFLUZXNSRNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-10-21-18-12-16(8-9-17(18)19)20(3)13-15-7-5-6-14(2)11-15/h5-9,11-12H,4,10,13,19H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine?
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine has a molecular weight of 284.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63671361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).