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

C18H23NO — CID 39368943

IUPACN-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(2)19-14-17-9-6-10-18(13-17)20-12-11-16-7-4-3-5-8-16/h3-10,13,15,19H,11-12,14H2,1-2H3
InChIKeyJVCIFBHNGPVLOJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.81
Rot. Bonds7

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

N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 39368943) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
PubChem CID39368943
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(2)19-14-17-9-6-10-18(13-17)20-12-11-16-7-4-3-5-8-16/h3-10,13,15,19H,11-12,14H2,1-2H3
InChIKeyJVCIFBHNGPVLOJ-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
N-[[3-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473285
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463806
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804574
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[[3-(2-chloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883728

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine (CID 39368943) is N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is JVCIFBHNGPVLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(2)19-14-17-9-6-10-18(13-17)20-12-11-16-7-4-3-5-8-16/h3-10,13,15,19H,11-12,14H2,1-2H3.
What are the key properties of N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine?
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 39368943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).