(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine

C23H34N2O2 — CID 10270525

IUPAC(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine
SMILESCc1cc(Cc2cc(C)c(OC[C@@H](C)N)c(C)c2)cc(C)c1OC[C@@H](C)N
InChIInChI=1S/C23H34N2O2/c1-14-7-20(8-15(2)22(14)26-12-18(5)24)11-21-9-16(3)23(17(4)10-21)27-13-19(6)25/h7-10,18-19H,11-13,24-25H2,1-6H3/t18-,19-/m1/s1
InChIKeyZQCREPLLVUGLJR-RTBURBONSA-N
MW370.54 g/mol
LogP3.96
Rot. Bonds8

About (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine

(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine (PubChem CID 10270525) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine
PubChem CID10270525
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine
SMILESCc1cc(Cc2cc(C)c(OC[C@@H](C)N)c(C)c2)cc(C)c1OC[C@@H](C)N
InChIInChI=1S/C23H34N2O2/c1-14-7-20(8-15(2)22(14)26-12-18(5)24)11-21-9-16(3)23(17(4)10-21)27-13-19(6)25/h7-10,18-19H,11-13,24-25H2,1-6H3/t18-,19-/m1/s1
InChIKeyZQCREPLLVUGLJR-RTBURBONSA-N
XLogP3.96
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine with MolForge

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Related Compounds

(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
1-[4-(2,2-difluoroethoxy)-3,5-dimethylphenyl]ethanamine
CID 87426896
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 54930474
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene
CID 173371935
2-[4-[[4-(2-acetyloxyethoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]ethyl acetate
CID 126731074
1-(4-bromo-2-methyl-6-nitrophenoxy)propan-2-amine
CID 102689396
1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64565529
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63499791
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine?
The IUPAC name of (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine (CID 10270525) is (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine.
What is the SMILES notation for (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine?
The canonical SMILES for (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine is Cc1cc(Cc2cc(C)c(OC[C@@H](C)N)c(C)c2)cc(C)c1OC[C@@H](C)N.
What is the InChIKey of (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine?
The InChIKey is ZQCREPLLVUGLJR-RTBURBONSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-14-7-20(8-15(2)22(14)26-12-18(5)24)11-21-9-16(3)23(17(4)10-21)27-13-19(6)25/h7-10,18-19H,11-13,24-25H2,1-6H3/t18-,19-/m1/s1.
What are the key properties of (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine?
(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine has a molecular weight of 370.54 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine is sourced from PubChem (CID 10270525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).