N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine

C23H31NO — CID 158042843

IUPACN-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine
SMILESC=C(CCCCc1ccc(-c2ccc(C)cc2)cc1)NOCCCC
InChIInChI=1S/C23H31NO/c1-4-5-18-25-24-20(3)8-6-7-9-21-12-16-23(17-13-21)22-14-10-19(2)11-15-22/h10-17,24H,3-9,18H2,1-2H3
InChIKeyFIOFJLUPSSWEHT-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.21
Rot. Bonds11

About N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine

N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine (PubChem CID 158042843) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine.

Molecular Properties

Compound NameN-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine
PubChem CID158042843
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine
SMILESC=C(CCCCc1ccc(-c2ccc(C)cc2)cc1)NOCCCC
InChIInChI=1S/C23H31NO/c1-4-5-18-25-24-20(3)8-6-7-9-21-12-16-23(17-13-21)22-14-10-19(2)11-15-22/h10-17,24H,3-9,18H2,1-2H3
InChIKeyFIOFJLUPSSWEHT-UHFFFAOYSA-N
XLogP6.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine?
The IUPAC name of N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine (CID 158042843) is N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine.
What is the SMILES notation for N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine?
The canonical SMILES for N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine is C=C(CCCCc1ccc(-c2ccc(C)cc2)cc1)NOCCCC.
What is the InChIKey of N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine?
The InChIKey is FIOFJLUPSSWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-4-5-18-25-24-20(3)8-6-7-9-21-12-16-23(17-13-21)22-14-10-19(2)11-15-22/h10-17,24H,3-9,18H2,1-2H3.
What are the key properties of N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine?
N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine has a molecular weight of 337.51 g/mol, XLogP of 6.21, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine is sourced from PubChem (CID 158042843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).