N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine

C19H25NO — CID 43280157

IUPACN-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-19(20-4-2)17-10-12-18(13-11-17)21-15-14-16-8-6-5-7-9-16/h5-13,19-20H,3-4,14-15H2,1-2H3
InChIKeyQVHJPZQUMCXYTC-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.37
Rot. Bonds8

About N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine

N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine (PubChem CID 43280157) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
PubChem CID43280157
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-19(20-4-2)17-10-12-18(13-11-17)21-15-14-16-8-6-5-7-9-16/h5-13,19-20H,3-4,14-15H2,1-2H3
InChIKeyQVHJPZQUMCXYTC-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865
1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
CID 63453795
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54823876
3-[4-[1-(ethylamino)propyl]phenoxy]propanamide
CID 43280110
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
CID 63500455

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine (CID 43280157) is N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine is CCNC(CC)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine?
The InChIKey is QVHJPZQUMCXYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-19(20-4-2)17-10-12-18(13-11-17)21-15-14-16-8-6-5-7-9-16/h5-13,19-20H,3-4,14-15H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine?
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 43280157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).