N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine

C18H23NO — CID 63943086

IUPACN-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
SMILESCCc1cccc(Oc2cccc(CNC(C)C)c2)c1
InChIInChI=1S/C18H23NO/c1-4-15-7-5-9-17(11-15)20-18-10-6-8-16(12-18)13-19-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyYESYSBDKANHVTK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds6

About N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine

N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 63943086) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID63943086
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
SMILESCCc1cccc(Oc2cccc(CNC(C)C)c2)c1
InChIInChI=1S/C18H23NO/c1-4-15-7-5-9-17(11-15)20-18-10-6-8-16(12-18)13-19-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyYESYSBDKANHVTK-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81255097
3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
CID 63456005
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
N-[[3-(2-bromo-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63941535
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 114999658

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine (CID 63943086) is N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine is CCc1cccc(Oc2cccc(CNC(C)C)c2)c1.
What is the InChIKey of N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is YESYSBDKANHVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-7-5-9-17(11-15)20-18-10-6-8-16(12-18)13-19-14(2)3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine?
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63943086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).