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

C22H25N — CID 67834954

IUPACN-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCCCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25N/c1-2-8-19(9-3-1)10-6-16-23-17-7-11-20-14-15-21-12-4-5-13-22(21)18-20/h1-5,8-9,12-15,18,23H,6-7,10-11,16-17H2
InChIKeyCWJDRMZGQFIHBM-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.99
Rot. Bonds8

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

N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine (PubChem CID 67834954) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
PubChem CID67834954
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCCCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25N/c1-2-8-19(9-3-1)10-6-16-23-17-7-11-20-14-15-21-12-4-5-13-22(21)18-20/h1-5,8-9,12-15,18,23H,6-7,10-11,16-17H2
InChIKeyCWJDRMZGQFIHBM-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
4-(2-naphthalen-2-ylethylamino)butanenitrile
CID 115231991
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
2-(3-phenylpropylamino)ethanol
CID 19012091
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine (CID 67834954) is N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine is c1ccc(CCCNCCCc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine?
The InChIKey is CWJDRMZGQFIHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-2-8-19(9-3-1)10-6-16-23-17-7-11-20-14-15-21-12-4-5-13-22(21)18-20/h1-5,8-9,12-15,18,23H,6-7,10-11,16-17H2.
What are the key properties of N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine?
N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 67834954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).