(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine

C27H23N — CID 59562831

IUPAC(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(C#Cc2ccccc2)c1)c1cccc2ccccc12
InChIInChI=1S/C27H23N/c1-21(26-16-8-14-25-13-5-6-15-27(25)26)28-20-24-12-7-11-23(19-24)18-17-22-9-3-2-4-10-22/h2-16,19,21,28H,20H2,1H3/t21-/m1/s1
InChIKeyANQMFQAWYCTEKJ-OAQYLSRUSA-N
MW361.49 g/mol
LogP6.09
Rot. Bonds4

About (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine

(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine (PubChem CID 59562831) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
PubChem CID59562831
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(C#Cc2ccccc2)c1)c1cccc2ccccc12
InChIInChI=1S/C27H23N/c1-21(26-16-8-14-25-13-5-6-15-27(25)26)28-20-24-12-7-11-23(19-24)18-17-22-9-3-2-4-10-22/h2-16,19,21,28H,20H2,1H3/t21-/m1/s1
InChIKeyANQMFQAWYCTEKJ-OAQYLSRUSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]prop-2-yn-1-ol
CID 59562837
(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
CID 59562929
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
CID 70834368
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
CID 22391282
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 42914218
3-[[1-(2-chlorophenyl)ethylamino]methyl]benzonitrile
CID 43181376

Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine (CID 59562831) is (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine is C[C@@H](NCc1cccc(C#Cc2ccccc2)c1)c1cccc2ccccc12.
What is the InChIKey of (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine?
The InChIKey is ANQMFQAWYCTEKJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H23N/c1-21(26-16-8-14-25-13-5-6-15-27(25)26)28-20-24-12-7-11-23(19-24)18-17-22-9-3-2-4-10-22/h2-16,19,21,28H,20H2,1H3/t21-/m1/s1.
What are the key properties of (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine?
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine has a molecular weight of 361.49 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 59562831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).