N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine

C23H27N — CID 156786209

IUPACN-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C23H27N/c1-2-16-24(17-8-11-20-9-4-3-5-10-20)19-21-14-15-22-12-6-7-13-23(22)18-21/h3-7,9-10,12-15,18H,2,8,11,16-17,19H2,1H3
InChIKeyYNZZDLPGQNWRQR-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.68
Rot. Bonds8

About N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine

N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 156786209) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine
PubChem CID156786209
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC NameN-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C23H27N/c1-2-16-24(17-8-11-20-9-4-3-5-10-20)19-21-14-15-22-12-6-7-13-23(22)18-21/h3-7,9-10,12-15,18H,2,8,11,16-17,19H2,1H3
InChIKeyYNZZDLPGQNWRQR-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine (CID 156786209) is N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine is CCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is YNZZDLPGQNWRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-2-16-24(17-8-11-20-9-4-3-5-10-20)19-21-14-15-22-12-6-7-13-23(22)18-21/h3-7,9-10,12-15,18H,2,8,11,16-17,19H2,1H3.
What are the key properties of N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine?
N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 317.48 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 156786209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).