(2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine

C19H27N3O — CID 155701454

IUPAC(2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine
SMILESCNCc1cccc(CCN[C@H](C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C19H27N3O/c1-15(13-16-7-9-19(23-3)10-8-16)21-12-11-17-5-4-6-18(22-17)14-20-2/h4-10,15,20-21H,11-14H2,1-3H3/t15-/m1/s1
InChIKeyHACMAWBSIVDIGI-OAHLLOKOSA-N
MW313.45 g/mol
LogP2.57
Rot. Bonds9

About (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine

(2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine (PubChem CID 155701454) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine
PubChem CID155701454
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine
SMILESCNCc1cccc(CCN[C@H](C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C19H27N3O/c1-15(13-16-7-9-19(23-3)10-8-16)21-12-11-17-5-4-6-18(22-17)14-20-2/h4-10,15,20-21H,11-14H2,1-3H3/t15-/m1/s1
InChIKeyHACMAWBSIVDIGI-OAHLLOKOSA-N
XLogP2.57
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
CID 106906232
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
1-[6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 62291688
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 103779248
N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
CID 115716045

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine (CID 155701454) is (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine is CNCc1cccc(CCN[C@H](C)Cc2ccc(OC)cc2)n1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine?
The InChIKey is HACMAWBSIVDIGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(13-16-7-9-19(23-3)10-8-16)21-12-11-17-5-4-6-18(22-17)14-20-2/h4-10,15,20-21H,11-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine?
(2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine has a molecular weight of 313.45 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine is sourced from PubChem (CID 155701454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).