1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine

C13H20ClNO — CID 82552354

IUPAC1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1c(C)cc(Cl)c(C)c1CNC
InChIInChI=1S/C13H20ClNO/c1-5-6-16-13-9(2)7-12(14)10(3)11(13)8-15-4/h7,15H,5-6,8H2,1-4H3
InChIKeyMORKKCYYBDGWSU-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.47
Rot. Bonds5

About 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine

1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine (PubChem CID 82552354) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
PubChem CID82552354
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1c(C)cc(Cl)c(C)c1CNC
InChIInChI=1S/C13H20ClNO/c1-5-6-16-13-9(2)7-12(14)10(3)11(13)8-15-4/h7,15H,5-6,8H2,1-4H3
InChIKeyMORKKCYYBDGWSU-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene
CID 83940767
5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
CID 83940685
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-methylbutanethioamide
CID 83940733
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
CID 83940725
3-chloro-2,5-dimethyl-6-propoxybenzoic acid
CID 82266755
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83940722
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)heptan-1-amine
CID 83940695
3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentyl thiocyanate
CID 112719427
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine (CID 82552354) is 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine is CCCOc1c(C)cc(Cl)c(C)c1CNC.
What is the InChIKey of 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine?
The InChIKey is MORKKCYYBDGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-6-16-13-9(2)7-12(14)10(3)11(13)8-15-4/h7,15H,5-6,8H2,1-4H3.
What are the key properties of 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine?
1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 82552354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).