3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine

C16H28N2O — CID 170866696

IUPAC3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCCOc1ccc(CCCN(C)C)cc1CN(C)C
InChIInChI=1S/C16H28N2O/c1-6-19-16-10-9-14(8-7-11-17(2)3)12-15(16)13-18(4)5/h9-10,12H,6-8,11,13H2,1-5H3
InChIKeyZHEXTXICIGZLCM-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.64
Rot. Bonds8

About 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine

3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866696) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866696
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCCOc1ccc(CCCN(C)C)cc1CN(C)C
InChIInChI=1S/C16H28N2O/c1-6-19-16-10-9-14(8-7-11-17(2)3)12-15(16)13-18(4)5/h9-10,12H,6-8,11,13H2,1-5H3
InChIKeyZHEXTXICIGZLCM-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866372
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866352
1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
CID 170890383
2-[2-[2-[2-(dimethylamino)ethyl]-4-nonylphenoxy]-5-nonylphenyl]-N,N-dimethylethanamine
CID 71439166
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
CID 170866561
3-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 170865479
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine (CID 170866696) is 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine is CCOc1ccc(CCCN(C)C)cc1CN(C)C.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZHEXTXICIGZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-19-16-10-9-14(8-7-11-17(2)3)12-15(16)13-18(4)5/h9-10,12H,6-8,11,13H2,1-5H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).