N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine

C22H25N — CID 70274234

IUPACN-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine
SMILESCC(C)(NCCCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N/c1-22(2,20-14-4-3-5-15-20)23-17-9-13-19-12-8-11-18-10-6-7-16-21(18)19/h3-8,10-12,14-16,23H,9,13,17H2,1-2H3
InChIKeyXHXUDRFFOWYRQD-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.30
Rot. Bonds6

About N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine

N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine (PubChem CID 70274234) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine
PubChem CID70274234
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine
SMILESCC(C)(NCCCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N/c1-22(2,20-14-4-3-5-15-20)23-17-9-13-19-12-8-11-18-10-6-7-16-21(18)19/h3-8,10-12,14-16,23H,9,13,17H2,1-2H3
InChIKeyXHXUDRFFOWYRQD-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.30
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

N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434
2-methyl-5-naphthalen-1-ylpentan-2-amine
CID 116925299
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
N-(2-naphthalen-2-ylethyl)-2-phenylpropan-2-amine
CID 70273499
1-butylnaphthalene;ethane
CID 142087052
1-(1-naphthalen-1-yl-2-phenylpropan-2-yl)naphthalene
CID 173163725
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
CID 81221155
2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
CID 115137096
3-naphthalen-1-ylpropan-1-ol
CID 14711518
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine?
The IUPAC name of N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine (CID 70274234) is N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine?
The canonical SMILES for N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine is CC(C)(NCCCc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine?
The InChIKey is XHXUDRFFOWYRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-22(2,20-14-4-3-5-15-20)23-17-9-13-19-12-8-11-18-10-6-7-16-21(18)19/h3-8,10-12,14-16,23H,9,13,17H2,1-2H3.
What are the key properties of N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine?
N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine has a molecular weight of 303.45 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine is sourced from PubChem (CID 70274234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).