N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C19H23N — CID 15061906

IUPACN-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(CCCNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H23N/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19-20H,6,9,12-15H2
InChIKeyCEMUKLXXZBFFNQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.77
Rot. Bonds5

About N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 15061906) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID15061906
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(CCCNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H23N/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19-20H,6,9,12-15H2
InChIKeyCEMUKLXXZBFFNQ-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 15061906) is N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is c1ccc(CCCNC2CCc3ccccc3C2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is CEMUKLXXZBFFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19-20H,6,9,12-15H2.
What are the key properties of N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 15061906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).