4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol

C24H29NO — CID 59570707

IUPAC4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol
SMILESCC(C)N(CCCC(O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C24H29NO/c1-19(2)25(18-20-9-4-3-5-10-20)16-8-13-24(26)23-15-14-21-11-6-7-12-22(21)17-23/h3-7,9-12,14-15,17,19,24,26H,8,13,16,18H2,1-2H3
InChIKeyIMEINKZFCONSJK-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.56
Rot. Bonds8

About 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol

4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol (PubChem CID 59570707) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol
PubChem CID59570707
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol
SMILESCC(C)N(CCCC(O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C24H29NO/c1-19(2)25(18-20-9-4-3-5-10-20)16-8-13-24(26)23-15-14-21-11-6-7-12-22(21)17-23/h3-7,9-12,14-15,17,19,24,26H,8,13,16,18H2,1-2H3
InChIKeyIMEINKZFCONSJK-UHFFFAOYSA-N
XLogP5.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol (CID 59570707) is 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol is CC(C)N(CCCC(O)c1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol?
The InChIKey is IMEINKZFCONSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-19(2)25(18-20-9-4-3-5-10-20)16-8-13-24(26)23-15-14-21-11-6-7-12-22(21)17-23/h3-7,9-12,14-15,17,19,24,26H,8,13,16,18H2,1-2H3.
What are the key properties of 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol?
4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol has a molecular weight of 347.50 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 59570707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).