2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide

C33H38N2O3 — CID 159272620

IUPAC2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cccc(OCc2ccccc2)c1.NCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO2.C15H17NO/c1-2-18(20)19-12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16;16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h3-10,13H,2,11-12,14H2,1H3,(H,19,20);1-8,11H,9-10,12,16H2
InChIKeyKXXBGEYFQASVGH-UHFFFAOYSA-N
MW510.68 g/mol
LogP6.10
Rot. Bonds12

About 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide

2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide (PubChem CID 159272620) has the molecular formula C33H38N2O3 and a molecular weight of 510.68 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide
PubChem CID159272620
Molecular FormulaC33H38N2O3
Molecular Weight510.68 g/mol
Exact Mass510.29
IUPAC Name2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cccc(OCc2ccccc2)c1.NCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO2.C15H17NO/c1-2-18(20)19-12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16;16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h3-10,13H,2,11-12,14H2,1H3,(H,19,20);1-8,11H,9-10,12,16H2
InChIKeyKXXBGEYFQASVGH-UHFFFAOYSA-N
XLogP6.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
4-[2-[3-[(4-chlorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22680888
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
4-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20986012
N-[2-methyl-2-(3-phenylmethoxyphenyl)propyl]propanamide
CID 118609735
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
1-phenylmethoxy-3-propylbenzene
CID 58977798
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 54930628
N-(2-aminoethyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 119382324

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide (CID 159272620) is 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide is CCC(=O)NCCc1cccc(OCc2ccccc2)c1.NCCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide?
The InChIKey is KXXBGEYFQASVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.C15H17NO/c1-2-18(20)19-12-11-15-9-6-10-17(13-15)21-14-16-7-4-3-5-8-16;16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h3-10,13H,2,11-12,14H2,1H3,(H,19,20);1-8,11H,9-10,12,16H2.
What are the key properties of 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide?
2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide has a molecular weight of 510.68 g/mol, XLogP of 6.10, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 159272620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).