N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine

C18H32N2O — CID 63966983

IUPACN,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
SMILESCCC(C)(C)N(C)CCOc1ccc(CNC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-18(4,5)20(6)12-13-21-17-10-8-16(9-11-17)14-19-15(2)3/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyLKYSTFQTFZMKOF-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.68
Rot. Bonds9

About N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine

N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine (PubChem CID 63966983) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
PubChem CID63966983
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
SMILESCCC(C)(C)N(C)CCOc1ccc(CNC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-18(4,5)20(6)12-13-21-17-10-8-16(9-11-17)14-19-15(2)3/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyLKYSTFQTFZMKOF-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
CID 63983501
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 115987764
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine
CID 62422023
2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
CID 114491574
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640
N-[[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 63982927
N-[(4-butoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827685
N-[[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614952
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine (CID 63966983) is N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine is CCC(C)(C)N(C)CCOc1ccc(CNC(C)C)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine?
The InChIKey is LKYSTFQTFZMKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-18(4,5)20(6)12-13-21-17-10-8-16(9-11-17)14-19-15(2)3/h8-11,15,19H,7,12-14H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine?
N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine is sourced from PubChem (CID 63966983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).