N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

C19H25NO — CID 63551807

IUPACN-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)(C)C)cc2)c1C
InChIInChI=1S/C19H25NO/c1-14-7-6-8-18(15(14)2)21-17-11-9-16(10-12-17)13-20-19(3,4)5/h6-12,20H,13H2,1-5H3
InChIKeyCGJMNBFZEFULNC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.98
Rot. Bonds4

About N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63551807) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63551807
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)(C)C)cc2)c1C
InChIInChI=1S/C19H25NO/c1-14-7-6-8-18(15(14)2)21-17-11-9-16(10-12-17)13-20-19(3,4)5/h6-12,20H,13H2,1-5H3
InChIKeyCGJMNBFZEFULNC-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dimethylphenoxy)phenyl]methanol
CID 28946045
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64854465
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553320
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
CID 59069197
N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63550550
N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981
N-[[4-(2-fluoro-3-methylphenoxy)phenyl]methyl]ethanamine
CID 107659654

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63551807) is N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is Cc1cccc(Oc2ccc(CNC(C)(C)C)cc2)c1C.
What is the InChIKey of N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CGJMNBFZEFULNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-7-6-8-18(15(14)2)21-17-11-9-16(10-12-17)13-20-19(3,4)5/h6-12,20H,13H2,1-5H3.
What are the key properties of N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63551807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).