1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine

C14H22ClNO — CID 107562065

IUPAC1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)COC)c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-10(9-17-4)7-14(16-3)12-6-5-11(2)13(15)8-12/h5-6,8,10,14,16H,7,9H2,1-4H3
InChIKeyJGONWVJGFIFCOY-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.58
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine

1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 107562065) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
PubChem CID107562065
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)COC)c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-10(9-17-4)7-14(16-3)12-6-5-11(2)13(15)8-12/h5-6,8,10,14,16H,7,9H2,1-4H3
InChIKeyJGONWVJGFIFCOY-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845717
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
1-(3-chloro-4-methylphenyl)-N-methylpent-3-yn-1-amine
CID 115820022
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105164508
4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
CID 105119199
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105091703

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine (CID 107562065) is 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine is CNC(CC(C)COC)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is JGONWVJGFIFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(9-17-4)7-14(16-3)12-6-5-11(2)13(15)8-12/h5-6,8,10,14,16H,7,9H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 107562065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).