(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine

C21H23NO — CID 68760026

IUPAC(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNCC(c1ccc2ccccc2c1)[C@H](OC)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22-15-20(21(23-2)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-22H,15H2,1-2H3/t20?,21-/m1/s1
InChIKeyNEWPRFWUSPHJOT-BPGUCPLFSA-N
MW305.42 g/mol
LogP4.53
Rot. Bonds6

About (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine

(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (PubChem CID 68760026) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
PubChem CID68760026
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNCC(c1ccc2ccccc2c1)[C@H](OC)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22-15-20(21(23-2)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-22H,15H2,1-2H3/t20?,21-/m1/s1
InChIKeyNEWPRFWUSPHJOT-BPGUCPLFSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-methyl-3-[4-[(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]butoxy]-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68761263
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
(2R)-2-ethoxy-N-methyl-2-naphthalen-2-ylethanamine
CID 95001736
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68735781
1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
CID 70875702
3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
CID 68735780

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The IUPAC name of (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (CID 68760026) is (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is CNCC(c1ccc2ccccc2c1)[C@H](OC)c1ccccc1.
What is the InChIKey of (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The InChIKey is NEWPRFWUSPHJOT-BPGUCPLFSA-N. The full InChI is InChI=1S/C21H23NO/c1-22-15-20(21(23-2)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-22H,15H2,1-2H3/t20?,21-/m1/s1.
What are the key properties of (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is sourced from PubChem (CID 68760026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).