N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine

C18H32N2O — CID 62463446

IUPACN,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
SMILESCC(C)CCN(C)CCOc1ccccc1CNC(C)C
InChIInChI=1S/C18H32N2O/c1-15(2)10-11-20(5)12-13-21-18-9-7-6-8-17(18)14-19-16(3)4/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyUOWMGIBQQKHELQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds10

About N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine

N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine (PubChem CID 62463446) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
PubChem CID62463446
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
SMILESCC(C)CCN(C)CCOc1ccccc1CNC(C)C
InChIInChI=1S/C18H32N2O/c1-15(2)10-11-20(5)12-13-21-18-9-7-6-8-17(18)14-19-16(3)4/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyUOWMGIBQQKHELQ-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074
N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
CID 115987871
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62420921
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
CID 111488563

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine (CID 62463446) is N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine is CC(C)CCN(C)CCOc1ccccc1CNC(C)C.
What is the InChIKey of N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
The InChIKey is UOWMGIBQQKHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)10-11-20(5)12-13-21-18-9-7-6-8-17(18)14-19-16(3)4/h6-9,15-16,19H,10-14H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine is sourced from PubChem (CID 62463446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).