N-ethyl-1-(4-phenoxyphenyl)propan-1-amine

C17H21NO — CID 43489604

IUPACN-ethyl-1-(4-phenoxyphenyl)propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-17(18-4-2)14-10-12-16(13-11-14)19-15-8-6-5-7-9-15/h5-13,17-18H,3-4H2,1-2H3
InChIKeyYFSBXFICSQYFMR-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.54
Rot. Bonds6

About N-ethyl-1-(4-phenoxyphenyl)propan-1-amine

N-ethyl-1-(4-phenoxyphenyl)propan-1-amine (PubChem CID 43489604) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-1-(4-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-phenoxyphenyl)propan-1-amine
PubChem CID43489604
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-1-(4-phenoxyphenyl)propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-3-17(18-4-2)14-10-12-16(13-11-14)19-15-8-6-5-7-9-15/h5-13,17-18H,3-4H2,1-2H3
InChIKeyYFSBXFICSQYFMR-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 43489608
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
CID 63500455
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-phenoxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-phenoxyphenyl)propan-1-amine (CID 43489604) is N-ethyl-1-(4-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-phenoxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-phenoxyphenyl)propan-1-amine is CCNC(CC)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-ethyl-1-(4-phenoxyphenyl)propan-1-amine?
The InChIKey is YFSBXFICSQYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-17(18-4-2)14-10-12-16(13-11-14)19-15-8-6-5-7-9-15/h5-13,17-18H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(4-phenoxyphenyl)propan-1-amine?
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine has a molecular weight of 255.36 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-ethyl-1-(4-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 43489604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).