N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine

C17H29NO — CID 19885290

IUPACN,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
SMILESCC(C)CCOc1ccc(CCC(C)N(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)12-13-19-17-10-8-16(9-11-17)7-6-15(3)18(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3
InChIKeyPMYMCYDSDSRRNG-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.99
Rot. Bonds8

About N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine

N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine (PubChem CID 19885290) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
PubChem CID19885290
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
SMILESCC(C)CCOc1ccc(CCC(C)N(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)12-13-19-17-10-8-16(9-11-17)7-6-15(3)18(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3
InChIKeyPMYMCYDSDSRRNG-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
4-[4-[3-(dimethylamino)butyl]phenoxy]butanenitrile;hydrochloride
CID 70383786
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
4-[4-(2-cyclohexylethoxy)phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
CID 19885108
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
CID 19885160
4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
CID 19885149

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine?
The IUPAC name of N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine (CID 19885290) is N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine?
The canonical SMILES for N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine is CC(C)CCOc1ccc(CCC(C)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine?
The InChIKey is PMYMCYDSDSRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)12-13-19-17-10-8-16(9-11-17)7-6-15(3)18(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine?
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine is sourced from PubChem (CID 19885290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).