1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine

C22H25N — CID 15061889

IUPAC1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine
SMILESCC(Cc1ccc2ccccc2c1)NCCCc1ccccc1
InChIInChI=1S/C22H25N/c1-18(23-15-7-10-19-8-3-2-4-9-19)16-20-13-14-21-11-5-6-12-22(21)17-20/h2-6,8-9,11-14,17-18,23H,7,10,15-16H2,1H3
InChIKeyQHLJHFBANMLCGX-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.99
Rot. Bonds7

About 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine

1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine (PubChem CID 15061889) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine
PubChem CID15061889
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine
SMILESCC(Cc1ccc2ccccc2c1)NCCCc1ccccc1
InChIInChI=1S/C22H25N/c1-18(23-15-7-10-19-8-3-2-4-9-19)16-20-13-14-21-11-5-6-12-22(21)17-20/h2-6,8-9,11-14,17-18,23H,7,10,15-16H2,1H3
InChIKeyQHLJHFBANMLCGX-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cinacalcet
CID 156419
Butenafine
CID 2484
Naftifine
CID 47641
Cinacalcet Hydrochloride
CID 156418
Prenylamine
CID 9801
Xaliproden
CID 128919
Butenafine Hydrochloride
CID 443867
Litracen
CID 82730
Tametraline
CID 163308
9,10-Anthracenedimethanamine, N,N'-bis(2-(dimethylamino)ethyl)-
CID 60242
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
alpha-Methyl-2-naphthaleneethanamine
CID 10219723

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine?
The IUPAC name of 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine (CID 15061889) is 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine.
What is the SMILES notation for 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine?
The canonical SMILES for 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine is CC(Cc1ccc2ccccc2c1)NCCCc1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine?
The InChIKey is QHLJHFBANMLCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-18(23-15-7-10-19-8-3-2-4-9-19)16-20-13-14-21-11-5-6-12-22(21)17-20/h2-6,8-9,11-14,17-18,23H,7,10,15-16H2,1H3.
What are the key properties of 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine?
1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine has a molecular weight of 303.45 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-(3-phenylpropyl)propan-2-amine is sourced from PubChem (CID 15061889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).