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

C18H32N2O — CID 62463806

IUPACN,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
SMILESCC(C)CCN(C)CCOc1cccc(CNC(C)C)c1
InChIInChI=1S/C18H32N2O/c1-15(2)9-10-20(5)11-12-21-18-8-6-7-17(13-18)14-19-16(3)4/h6-8,13,15-16,19H,9-12,14H2,1-5H3
InChIKeyMYFSIPMMNGDFEV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds10

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

N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine (PubChem CID 62463806) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
PubChem CID62463806
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
SMILESCC(C)CCN(C)CCOc1cccc(CNC(C)C)c1
InChIInChI=1S/C18H32N2O/c1-15(2)9-10-20(5)11-12-21-18-8-6-7-17(13-18)14-19-16(3)4/h6-8,13,15-16,19H,9-12,14H2,1-5H3
InChIKeyMYFSIPMMNGDFEV-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-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463446
N-[[3-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473285
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420181
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine (CID 62463806) is N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine is CC(C)CCN(C)CCOc1cccc(CNC(C)C)c1.
What is the InChIKey of N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
The InChIKey is MYFSIPMMNGDFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)9-10-20(5)11-12-21-18-8-6-7-17(13-18)14-19-16(3)4/h6-8,13,15-16,19H,9-12,14H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine?
N,3-dimethyl-N-[2-[3-[(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-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine is sourced from PubChem (CID 62463806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).