1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C18H24N2O — CID 43616973

IUPAC1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(C)cc1C(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-13-6-11-18(21-5)17(12-13)14(2)19-15-7-9-16(10-8-15)20(3)4/h6-12,14,19H,1-5H3
InChIKeyGWMKZRLGMACPIQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.24
Rot. Bonds5

About 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43616973) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43616973
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(C)cc1C(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-13-6-11-18(21-5)17(12-13)14(2)19-15-7-9-16(10-8-15)20(3)4/h6-12,14,19H,1-5H3
InChIKeyGWMKZRLGMACPIQ-UHFFFAOYSA-N
XLogP4.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.24
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

N-[4-[1-(2-methoxy-5-methylphenyl)ethylamino]phenyl]acetamide
CID 43824770
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678639
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
4-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43764329
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
CID 20811410
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43616973) is 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is COc1ccc(C)cc1C(C)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is GWMKZRLGMACPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-6-11-18(21-5)17(12-13)14(2)19-15-7-9-16(10-8-15)20(3)4/h6-12,14,19H,1-5H3.
What are the key properties of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 284.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43616973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).