3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine

C13H20ClNO — CID 170866526

IUPAC3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCOc1ccc(CCCN(C)C)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-16-13-8-7-11(10-12(13)14)6-5-9-15(2)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYWUZJNKWJUUYLE-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.23
Rot. Bonds6

About 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine

3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170866526) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170866526
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCOc1ccc(CCCN(C)C)cc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-16-13-8-7-11(10-12(13)14)6-5-9-15(2)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYWUZJNKWJUUYLE-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259026
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]-1-methylurea
CID 115168646
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866352
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
N-(bromomethyl)-2-(3-chloro-4-ethoxyphenyl)ethanamine
CID 115262221
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
2-(3-chloro-4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844806

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine (CID 170866526) is 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine is CCOc1ccc(CCCN(C)C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is YWUZJNKWJUUYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-16-13-8-7-11(10-12(13)14)6-5-9-15(2)3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).