2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine

C14H22ClNO — CID 82553120

IUPAC2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
SMILESCCCOc1cc(C)c(Cl)c(C)c1CCNC
InChIInChI=1S/C14H22ClNO/c1-5-8-17-13-9-10(2)14(15)11(3)12(13)6-7-16-4/h9,16H,5-8H2,1-4H3
InChIKeyIBQNBMIYPKPRKK-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.51
Rot. Bonds6

About 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine

2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine (PubChem CID 82553120) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
PubChem CID82553120
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
SMILESCCCOc1cc(C)c(Cl)c(C)c1CCNC
InChIInChI=1S/C14H22ClNO/c1-5-8-17-13-9-10(2)14(15)11(3)12(13)6-7-16-4/h9,16H,5-8H2,1-4H3
InChIKeyIBQNBMIYPKPRKK-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
CID 83937981
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 110789568
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine (CID 82553120) is 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine is CCCOc1cc(C)c(Cl)c(C)c1CCNC.
What is the InChIKey of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine?
The InChIKey is IBQNBMIYPKPRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-8-17-13-9-10(2)14(15)11(3)12(13)6-7-16-4/h9,16H,5-8H2,1-4H3.
What are the key properties of 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine?
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine has a molecular weight of 255.79 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82553120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).