2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline

C18H23NO2 — CID 79008614

IUPAC2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-15(12-14-8-6-5-7-9-14)19-17-11-10-16(20-2)13-18(17)21-3/h5-11,13,15,19H,4,12H2,1-3H3
InChIKeyONFGPNBCJWPYSD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.14
Rot. Bonds7

About 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline

2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline (PubChem CID 79008614) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline
PubChem CID79008614
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-4-15(12-14-8-6-5-7-9-14)19-17-11-10-16(20-2)13-18(17)21-3/h5-11,13,15,19H,4,12H2,1-3H3
InChIKeyONFGPNBCJWPYSD-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline
CID 79008767
3-chloro-4-methoxy-N-(1-phenylbutan-2-yl)aniline
CID 79007273
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
N-methoxy-1-phenylbutan-2-amine
CID 82707148
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
2,4-dimethoxy-N-[(1R)-2-nitro-1-phenylethyl]aniline
CID 94714144
2-chloro-4-iodo-N-(1-phenylbutan-2-yl)aniline
CID 79007429
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
ethyl 3-(2,4-dimethoxyanilino)-3-phenylpropanoate
CID 101207114
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline?
The IUPAC name of 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline (CID 79008614) is 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline.
What is the SMILES notation for 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline?
The canonical SMILES for 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline is CCC(Cc1ccccc1)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline?
The InChIKey is ONFGPNBCJWPYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-15(12-14-8-6-5-7-9-14)19-17-11-10-16(20-2)13-18(17)21-3/h5-11,13,15,19H,4,12H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline?
2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline is sourced from PubChem (CID 79008614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).