N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine

C18H32N2O — CID 62433074

IUPACN-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
SMILESCCCC(C)N(C)CCOc1ccccc1CNC(C)C
InChIInChI=1S/C18H32N2O/c1-6-9-16(4)20(5)12-13-21-18-11-8-7-10-17(18)14-19-15(2)3/h7-8,10-11,15-16,19H,6,9,12-14H2,1-5H3
InChIKeyIBMFAEJSZCREIH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.68
Rot. Bonds10

About N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine

N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine (PubChem CID 62433074) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
PubChem CID62433074
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
SMILESCCCC(C)N(C)CCOc1ccccc1CNC(C)C
InChIInChI=1S/C18H32N2O/c1-6-9-16(4)20(5)12-13-21-18-11-8-7-10-17(18)14-19-15(2)3/h7-8,10-11,15-16,19H,6,9,12-14H2,1-5H3
InChIKeyIBMFAEJSZCREIH-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
CID 115987871
N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463446
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
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
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
2-methyl-N-[[2-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62418298
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine?
The IUPAC name of N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine (CID 62433074) is N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine.
What is the SMILES notation for N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine?
The canonical SMILES for N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine is CCCC(C)N(C)CCOc1ccccc1CNC(C)C.
What is the InChIKey of N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine?
The InChIKey is IBMFAEJSZCREIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-9-16(4)20(5)12-13-21-18-11-8-7-10-17(18)14-19-15(2)3/h7-8,10-11,15-16,19H,6,9,12-14H2,1-5H3.
What are the key properties of N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine?
N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine is sourced from PubChem (CID 62433074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).