1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine

C14H22ClNO — CID 105044504

IUPAC1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1cc(Cl)ccc1C)C(C)CCOC
InChIInChI=1S/C14H22ClNO/c1-10-5-6-12(15)9-13(10)14(16-3)11(2)7-8-17-4/h5-6,9,11,14,16H,7-8H2,1-4H3
InChIKeyXJLNYCUSZHLEDA-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.58
Rot. Bonds6

About 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine

1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 105044504) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine
PubChem CID105044504
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1cc(Cl)ccc1C)C(C)CCOC
InChIInChI=1S/C14H22ClNO/c1-10-5-6-12(15)9-13(10)14(16-3)11(2)7-8-17-4/h5-6,9,11,14,16H,7-8H2,1-4H3
InChIKeyXJLNYCUSZHLEDA-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-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044732
1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044561
1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044648
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949606
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
methyl N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate
CID 69175225
1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 116948116
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine (CID 105044504) is 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine is CNC(c1cc(Cl)ccc1C)C(C)CCOC.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is XJLNYCUSZHLEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10-5-6-12(15)9-13(10)14(16-3)11(2)7-8-17-4/h5-6,9,11,14,16H,7-8H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-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-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105044504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).