N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine

C24H29NO — CID 44590783

IUPACN-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine
SMILESCCCCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
InChIInChI=1S/C24H29NO/c1-3-4-14-26-24-13-12-22-16-21(10-11-23(22)17-24)15-19(2)25-18-20-8-6-5-7-9-20/h5-13,16-17,19,25H,3-4,14-15,18H2,1-2H3
InChIKeyYIPJGAAYIMEAQI-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.74
Rot. Bonds9

About N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine

N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine (PubChem CID 44590783) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine
PubChem CID44590783
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC NameN-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine
SMILESCCCCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1
InChIInChI=1S/C24H29NO/c1-3-4-14-26-24-13-12-22-16-21(10-11-23(22)17-24)15-19(2)25-18-20-8-6-5-7-9-20/h5-13,16-17,19,25H,3-4,14-15,18H2,1-2H3
InChIKeyYIPJGAAYIMEAQI-UHFFFAOYSA-N
XLogP5.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.74
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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine?
The IUPAC name of N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine (CID 44590783) is N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine?
The canonical SMILES for N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine is CCCCOc1ccc2cc(CC(C)NCc3ccccc3)ccc2c1.
What is the InChIKey of N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine?
The InChIKey is YIPJGAAYIMEAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-3-4-14-26-24-13-12-22-16-21(10-11-23(22)17-24)15-19(2)25-18-20-8-6-5-7-9-20/h5-13,16-17,19,25H,3-4,14-15,18H2,1-2H3.
What are the key properties of N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine?
N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine has a molecular weight of 347.50 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-butoxynaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 44590783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).