3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine

C25H31NO — CID 19885262

IUPAC3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine
SMILESCCCCCCOc1ccc(CC(CN)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H31NO/c1-2-3-4-7-16-27-25-14-10-20(11-15-25)17-24(19-26)23-13-12-21-8-5-6-9-22(21)18-23/h5-6,8-15,18,24H,2-4,7,16-17,19,26H2,1H3
InChIKeyAUYBFLVLGQIAFM-UHFFFAOYSA-N
MW361.53 g/mol
LogP6.08
Rot. Bonds10

About 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine

3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine (PubChem CID 19885262) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine
PubChem CID19885262
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine
SMILESCCCCCCOc1ccc(CC(CN)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H31NO/c1-2-3-4-7-16-27-25-14-10-20(11-15-25)17-24(19-26)23-13-12-21-8-5-6-9-22(21)18-23/h5-6,8-15,18,24H,2-4,7,16-17,19,26H2,1H3
InChIKeyAUYBFLVLGQIAFM-UHFFFAOYSA-N
XLogP6.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
CID 19885129
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
2-(2-fluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 83975523
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
1-decoxy-4-(2-methylpropyl)benzene
CID 58996843
(4-decoxyphenyl)methanamine
CID 55187501
2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
CID 70383117
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride
CID 19885116
2-octan-3-ylnaphthalene
CID 14029920
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975865

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine?
The IUPAC name of 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine (CID 19885262) is 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine is CCCCCCOc1ccc(CC(CN)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine?
The InChIKey is AUYBFLVLGQIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO/c1-2-3-4-7-16-27-25-14-10-20(11-15-25)17-24(19-26)23-13-12-21-8-5-6-9-22(21)18-23/h5-6,8-15,18,24H,2-4,7,16-17,19,26H2,1H3.
What are the key properties of 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine?
3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine has a molecular weight of 361.53 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxyphenyl)-2-naphthalen-2-ylpropan-1-amine is sourced from PubChem (CID 19885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).