sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

C24H27NNaO+ — CID 15980199

IUPACsodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCc1ccccc1O[C@H](CCN(C)Cc1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C24H27NO.Na/c1-20-11-9-10-16-23(20)26-24(22-14-7-4-8-15-22)17-18-25(2)19-21-12-5-3-6-13-21;/h3-16,24H,17-19H2,1-2H3;/q;+1/t24-;/m1./s1
InChIKeyPYKILQMZEQPQRL-GJFSDDNBSA-N
MW368.48 g/mol
LogP2.64
Rot. Bonds8

About sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine (PubChem CID 15980199) has the molecular formula C24H27NNaO+ and a molecular weight of 368.48 g/mol. Its IUPAC name is sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound Namesodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
PubChem CID15980199
Molecular FormulaC24H27NNaO+
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Namesodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCc1ccccc1O[C@H](CCN(C)Cc1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C24H27NO.Na/c1-20-11-9-10-16-23(20)26-24(22-14-7-4-8-15-22)17-18-25(2)19-21-12-5-3-6-13-21;/h3-16,24H,17-19H2,1-2H3;/q;+1/t24-;/m1./s1
InChIKeyPYKILQMZEQPQRL-GJFSDDNBSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
CID 143896627
N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 58600354
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687
1-methyl-2-[(1R)-3-nitro-1-phenylpropoxy]benzene
CID 102389343
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 3061511
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
CID 90685594
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid
CID 22679241

Frequently Asked Questions

What is the IUPAC name of sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine (CID 15980199) is sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine is Cc1ccccc1O[C@H](CCN(C)Cc1ccccc1)c1ccccc1.[Na+].
What is the InChIKey of sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is PYKILQMZEQPQRL-GJFSDDNBSA-N. The full InChI is InChI=1S/C24H27NO.Na/c1-20-11-9-10-16-23(20)26-24(22-14-7-4-8-15-22)17-18-25(2)19-21-12-5-3-6-13-21;/h3-16,24H,17-19H2,1-2H3;/q;+1/t24-;/m1./s1.
What are the key properties of sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine has a molecular weight of 368.48 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 15980199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).