(1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine

C29H25N — CID 10905286

IUPAC(1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine
SMILESC[C@H](NC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C29H25N/c1-21(22-11-3-2-4-12-22)30-29(27-19-9-15-23-13-5-7-17-25(23)27)28-20-10-16-24-14-6-8-18-26(24)28/h2-21,29-30H,1H3/t21-/m0/s1
InChIKeyPRVVTWWUNXAHFI-NRFANRHFSA-N
MW387.53 g/mol
LogP7.43
Rot. Bonds5

About (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine

(1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine (PubChem CID 10905286) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine
PubChem CID10905286
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name(1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine
SMILESC[C@H](NC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C29H25N/c1-21(22-11-3-2-4-12-22)30-29(27-19-9-15-23-13-5-7-17-25(23)27)28-20-10-16-24-14-6-8-18-26(24)28/h2-21,29-30H,1H3/t21-/m0/s1
InChIKeyPRVVTWWUNXAHFI-NRFANRHFSA-N
XLogP7.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine?
The IUPAC name of (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine (CID 10905286) is (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine?
The canonical SMILES for (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine is C[C@H](NC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine?
The InChIKey is PRVVTWWUNXAHFI-NRFANRHFSA-N. The full InChI is InChI=1S/C29H25N/c1-21(22-11-3-2-4-12-22)30-29(27-19-9-15-23-13-5-7-17-25(23)27)28-20-10-16-24-14-6-8-18-26(24)28/h2-21,29-30H,1H3/t21-/m0/s1.
What are the key properties of (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine?
(1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine has a molecular weight of 387.53 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 10905286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).