(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine

C26H25NO — CID 102334236

IUPAC(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
SMILESCOc1ccc2ccccc2c1[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO/c1-19(20-11-5-3-6-12-20)27-26(22-14-7-4-8-15-22)25-23-16-10-9-13-21(23)17-18-24(25)28-2/h3-19,26-27H,1-2H3/t19-,26-/m0/s1
InChIKeyXMKWGCPLGMGMNH-SIBVEZHUSA-N
MW367.49 g/mol
LogP6.29
Rot. Bonds6

About (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine

(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine (PubChem CID 102334236) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
PubChem CID102334236
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
SMILESCOc1ccc2ccccc2c1[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO/c1-19(20-11-5-3-6-12-20)27-26(22-14-7-4-8-15-22)25-23-16-10-9-13-21(23)17-18-24(25)28-2/h3-19,26-27H,1-2H3/t19-,26-/m0/s1
InChIKeyXMKWGCPLGMGMNH-SIBVEZHUSA-N
XLogP6.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,11,17,23-tetratert-butyl-26,28-bis[2-[1-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]naphthalen-2-yl]oxyethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 50993925
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
CID 62069963
1-(diphenoxymethyl)-2-methoxynaphthalene
CID 140773856
3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 14643101
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine
CID 14247701
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 86220851
[1-[(S)-acetamido(phenyl)methyl]naphthalen-2-yl] benzoate
CID 2265476
[1-[acetamido(phenyl)methyl]naphthalen-2-yl] benzoate
CID 2882665

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine (CID 102334236) is (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine is COc1ccc2ccccc2c1[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine?
The InChIKey is XMKWGCPLGMGMNH-SIBVEZHUSA-N. The full InChI is InChI=1S/C26H25NO/c1-19(20-11-5-3-6-12-20)27-26(22-14-7-4-8-15-22)25-23-16-10-9-13-21(23)17-18-24(25)28-2/h3-19,26-27H,1-2H3/t19-,26-/m0/s1.
What are the key properties of (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine?
(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine has a molecular weight of 367.49 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine is sourced from PubChem (CID 102334236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).