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

C23H34ClNO — CID 19885116

IUPAC3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride
SMILESCCCCC(CC)COc1ccc(CC(CN)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H33NO.ClH/c1-3-5-9-19(4-2)18-25-23-14-12-20(13-15-23)16-22(17-24)21-10-7-6-8-11-21;/h6-8,10-15,19,22H,3-5,9,16-18,24H2,1-2H3;1H
InChIKeyJIMUPAZKSYSNMG-UHFFFAOYSA-N
MW375.98 g/mol
LogP5.99
Rot. Bonds11

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

3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride (PubChem CID 19885116) has the molecular formula C23H34ClNO and a molecular weight of 375.98 g/mol. Its IUPAC name is 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride
PubChem CID19885116
Molecular FormulaC23H34ClNO
Molecular Weight375.98 g/mol
Exact Mass375.23
IUPAC Name3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride
SMILESCCCCC(CC)COc1ccc(CC(CN)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H33NO.ClH/c1-3-5-9-19(4-2)18-25-23-14-12-20(13-15-23)16-22(17-24)21-10-7-6-8-11-21;/h6-8,10-15,19,22H,3-5,9,16-18,24H2,1-2H3;1H
InChIKeyJIMUPAZKSYSNMG-UHFFFAOYSA-N
XLogP5.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.98
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
CID 70383117
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
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
1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine
CID 19885262

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride (CID 19885116) is 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride is CCCCC(CC)COc1ccc(CC(CN)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride?
The InChIKey is JIMUPAZKSYSNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO.ClH/c1-3-5-9-19(4-2)18-25-23-14-12-20(13-15-23)16-22(17-24)21-10-7-6-8-11-21;/h6-8,10-15,19,22H,3-5,9,16-18,24H2,1-2H3;1H.
What are the key properties of 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride?
3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride has a molecular weight of 375.98 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 19885116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).