4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline

C16H28N2O — CID 170865901

IUPAC4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
SMILESCCN(CC)c1ccc(CCCN(C)C)c(OC)c1
InChIInChI=1S/C16H28N2O/c1-6-18(7-2)15-11-10-14(16(13-15)19-5)9-8-12-17(3)4/h10-11,13H,6-9,12H2,1-5H3
InChIKeyFZKMVLYEGOWAAP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.04
Rot. Bonds8

About 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline

4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline (PubChem CID 170865901) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
PubChem CID170865901
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
SMILESCCN(CC)c1ccc(CCCN(C)C)c(OC)c1
InChIInChI=1S/C16H28N2O/c1-6-18(7-2)15-11-10-14(16(13-15)19-5)9-8-12-17(3)4/h10-11,13H,6-9,12H2,1-5H3
InChIKeyFZKMVLYEGOWAAP-UHFFFAOYSA-N
XLogP3.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
CID 170869897
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
3-(2-methoxy-4-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865540
2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline?
The IUPAC name of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline (CID 170865901) is 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline is CCN(CC)c1ccc(CCCN(C)C)c(OC)c1.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline?
The InChIKey is FZKMVLYEGOWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-18(7-2)15-11-10-14(16(13-15)19-5)9-8-12-17(3)4/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline?
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline has a molecular weight of 264.41 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline is sourced from PubChem (CID 170865901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).