1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine

C12H18ClNO — CID 116915289

IUPAC1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
SMILESCOc1c(C)cc(C(Cl)N(C)C)cc1C
InChIInChI=1S/C12H18ClNO/c1-8-6-10(12(13)14(3)4)7-9(2)11(8)15-5/h6-7,12H,1-5H3
InChIKeyQBSMFBKZCGZTGK-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.11
Rot. Bonds3

About 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine

1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine (PubChem CID 116915289) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
PubChem CID116915289
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
SMILESCOc1c(C)cc(C(Cl)N(C)C)cc1C
InChIInChI=1S/C12H18ClNO/c1-8-6-10(12(13)14(3)4)7-9(2)11(8)15-5/h6-7,12H,1-5H3
InChIKeyQBSMFBKZCGZTGK-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-(1-chloro-2,2,2-trifluoroethyl)-2-methoxy-1,3-dimethylbenzene
CID 83067903
2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 116905197
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116913282
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine (CID 116915289) is 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine is COc1c(C)cc(C(Cl)N(C)C)cc1C.
What is the InChIKey of 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine?
The InChIKey is QBSMFBKZCGZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8-6-10(12(13)14(3)4)7-9(2)11(8)15-5/h6-7,12H,1-5H3.
What are the key properties of 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine?
1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine has a molecular weight of 227.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116915289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).