ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine

C21H24N2O — CID 156742499

IUPACethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine
SMILESCC.Cc1cnccc1NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H18N2O.C2H6/c1-15-13-20-11-10-19(15)21-14-16-6-5-9-18(12-16)22-17-7-3-2-4-8-17;1-2/h2-13H,14H2,1H3,(H,20,21);1-2H3
InChIKeySOXDASXEVSQXHO-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.82
Rot. Bonds5

About ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine

ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine (PubChem CID 156742499) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Nameethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine
PubChem CID156742499
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Nameethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine
SMILESCC.Cc1cnccc1NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H18N2O.C2H6/c1-15-13-20-11-10-19(15)21-14-16-6-5-9-18(12-16)22-17-7-3-2-4-8-17;1-2/h2-13H,14H2,1H3,(H,20,21);1-2H3
InChIKeySOXDASXEVSQXHO-UHFFFAOYSA-N
XLogP5.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 133442189
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CID 63329306
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-methylpyridin-4-amine
CID 126766699
N-[(3-butoxyphenyl)methyl]-2-methylaniline
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(3-phenoxyphenyl)methylphosphane
CID 70930904
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
1-(3-phenoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000596
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CID 54797823

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine?
The IUPAC name of ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine (CID 156742499) is ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine?
The canonical SMILES for ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine is CC.Cc1cnccc1NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine?
The InChIKey is SOXDASXEVSQXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.C2H6/c1-15-13-20-11-10-19(15)21-14-16-6-5-9-18(12-16)22-17-7-3-2-4-8-17;1-2/h2-13H,14H2,1H3,(H,20,21);1-2H3.
What are the key properties of ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine?
ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine has a molecular weight of 320.44 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 156742499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).