3-(4-ethylphenoxy)-3-phenylpropan-1-amine

C17H21NO — CID 112501685

IUPAC3-(4-ethylphenoxy)-3-phenylpropan-1-amine
SMILESCCc1ccc(OC(CCN)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-14-8-10-16(11-9-14)19-17(12-13-18)15-6-4-3-5-7-15/h3-11,17H,2,12-13,18H2,1H3
InChIKeyZXTPFGGMRKPFSP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.72
Rot. Bonds6

About 3-(4-ethylphenoxy)-3-phenylpropan-1-amine

3-(4-ethylphenoxy)-3-phenylpropan-1-amine (PubChem CID 112501685) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-3-phenylpropan-1-amine
PubChem CID112501685
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-(4-ethylphenoxy)-3-phenylpropan-1-amine
SMILESCCc1ccc(OC(CCN)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-14-8-10-16(11-9-14)19-17(12-13-18)15-6-4-3-5-7-15/h3-11,17H,2,12-13,18H2,1H3
InChIKeyZXTPFGGMRKPFSP-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
3-butoxy-3-phenylpropan-1-amine
CID 114998461
5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
CID 118528022
2-(2-chlorophenyl)-2-(4-ethylphenoxy)ethanamine
CID 55022375
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
4-(4-ethylphenyl)-3-phenylpentan-1-amine
CID 57150711
1-(3-chloro-1-phenylpropoxy)-3-ethylbenzene
CID 112501878
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of 3-(4-ethylphenoxy)-3-phenylpropan-1-amine (CID 112501685) is 3-(4-ethylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-ethylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(4-ethylphenoxy)-3-phenylpropan-1-amine is CCc1ccc(OC(CCN)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is ZXTPFGGMRKPFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-14-8-10-16(11-9-14)19-17(12-13-18)15-6-4-3-5-7-15/h3-11,17H,2,12-13,18H2,1H3.
What are the key properties of 3-(4-ethylphenoxy)-3-phenylpropan-1-amine?
3-(4-ethylphenoxy)-3-phenylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 112501685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).