N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline

C18H24N2O — CID 60935970

IUPACN-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
SMILESCCOc1cccc(NC(C)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H24N2O/c1-5-21-18-8-6-7-16(13-18)19-14(2)15-9-11-17(12-10-15)20(3)4/h6-14,19H,5H2,1-4H3
InChIKeyAVBMRSOOFVHWIA-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.32
Rot. Bonds6

About N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline

N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline (PubChem CID 60935970) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
PubChem CID60935970
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
SMILESCCOc1cccc(NC(C)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H24N2O/c1-5-21-18-8-6-7-16(13-18)19-14(2)15-9-11-17(12-10-15)20(3)4/h6-14,19H,5H2,1-4H3
InChIKeyAVBMRSOOFVHWIA-UHFFFAOYSA-N
XLogP4.32
TPSA24.50 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
CID 84596891
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
CID 60935769
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
CID 133360412

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline (CID 60935970) is N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline is CCOc1cccc(NC(C)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline?
The InChIKey is AVBMRSOOFVHWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-21-18-8-6-7-16(13-18)19-14(2)15-9-11-17(12-10-15)20(3)4/h6-14,19H,5H2,1-4H3.
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline?
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline has a molecular weight of 284.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline is sourced from PubChem (CID 60935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).