2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine

C23H33NO — CID 70383117

IUPAC2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
SMILESCCCCC(CC)COc1ccc(C(CN)Cc2ccccc2)cc1
InChIInChI=1S/C23H33NO/c1-3-5-9-19(4-2)18-25-23-14-12-21(13-15-23)22(17-24)16-20-10-7-6-8-11-20/h6-8,10-15,19,22H,3-5,9,16-18,24H2,1-2H3
InChIKeyUQBMWXHAERRNQJ-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.57
Rot. Bonds11

About 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine

2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine (PubChem CID 70383117) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
PubChem CID70383117
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
SMILESCCCCC(CC)COc1ccc(C(CN)Cc2ccccc2)cc1
InChIInChI=1S/C23H33NO/c1-3-5-9-19(4-2)18-25-23-14-12-21(13-15-23)22(17-24)16-20-10-7-6-8-11-20/h6-8,10-15,19,22H,3-5,9,16-18,24H2,1-2H3
InChIKeyUQBMWXHAERRNQJ-UHFFFAOYSA-N
XLogP5.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride
CID 19885116
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
CID 19885129
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine
CID 19885262
4-ethyl-1-phenoxyoctan-2-amine
CID 63416527
2-ethylhexyl 2-hydroxy-3-phenylpropanoate
CID 56974943
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine?
The IUPAC name of 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine (CID 70383117) is 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine.
What is the SMILES notation for 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine?
The canonical SMILES for 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine is CCCCC(CC)COc1ccc(C(CN)Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine?
The InChIKey is UQBMWXHAERRNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-3-5-9-19(4-2)18-25-23-14-12-21(13-15-23)22(17-24)16-20-10-7-6-8-11-20/h6-8,10-15,19,22H,3-5,9,16-18,24H2,1-2H3.
What are the key properties of 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine?
2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine has a molecular weight of 339.52 g/mol, XLogP of 5.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 70383117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).