3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine

C20H25N — CID 63771754

IUPAC3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
SMILESc1ccc(CCCNCC2CCCc3ccccc32)cc1
InChIInChI=1S/C20H25N/c1-2-8-17(9-3-1)10-7-15-21-16-19-13-6-12-18-11-4-5-14-20(18)19/h1-5,8-9,11,14,19,21H,6-7,10,12-13,15-16H2
InChIKeyZMIKLWODNLIQJQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.33
Rot. Bonds6

About 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine

3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine (PubChem CID 63771754) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
PubChem CID63771754
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
SMILESc1ccc(CCCNCC2CCCc3ccccc32)cc1
InChIInChI=1S/C20H25N/c1-2-8-17(9-3-1)10-7-15-21-16-19-13-6-12-18-11-4-5-14-20(18)19/h1-5,8-9,11,14,19,21H,6-7,10,12-13,15-16H2
InChIKeyZMIKLWODNLIQJQ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.33
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

6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
CID 107851787
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762
N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64974310
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 19773300
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 103006067
2-[(2-phenylethylamino)methyl]cyclopentan-1-one
CID 57039935
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
The IUPAC name of 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine (CID 63771754) is 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
The canonical SMILES for 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine is c1ccc(CCCNCC2CCCc3ccccc32)cc1.
What is the InChIKey of 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
The InChIKey is ZMIKLWODNLIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-8-17(9-3-1)10-7-15-21-16-19-13-6-12-18-11-4-5-14-20(18)19/h1-5,8-9,11,14,19,21H,6-7,10,12-13,15-16H2.
What are the key properties of 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine is sourced from PubChem (CID 63771754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).