N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine

C19H25NO — CID 63489021

IUPACN,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine
SMILESCCC(C)(CNC)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-5-19(3,14-20-4)21-18-12-10-17(11-13-18)16-8-6-15(2)7-9-16/h6-13,20H,5,14H2,1-4H3
InChIKeyVALCKMAAWZGZAN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.43
Rot. Bonds6

About N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine

N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine (PubChem CID 63489021) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine
PubChem CID63489021
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine
SMILESCCC(C)(CNC)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO/c1-5-19(3,14-20-4)21-18-12-10-17(11-13-18)16-8-6-15(2)7-9-16/h6-13,20H,5,14H2,1-4H3
InChIKeyVALCKMAAWZGZAN-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 62353436
2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
CID 62352480
2-(3-chloro-4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 63878844
N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62353843
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62353838
3-(3-methylpentan-3-yloxy)-5-[4-(3-methylpentan-3-yloxy)phenyl]phenol
CID 123802467
N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine?
The IUPAC name of N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine (CID 63489021) is N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine is CCC(C)(CNC)Oc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine?
The InChIKey is VALCKMAAWZGZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-19(3,14-20-4)21-18-12-10-17(11-13-18)16-8-6-15(2)7-9-16/h6-13,20H,5,14H2,1-4H3.
What are the key properties of N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine?
N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine is sourced from PubChem (CID 63489021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).