N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine

C19H25NO — CID 62106839

IUPACN-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-15(2)20-13-19(18-11-7-8-16(3)12-18)21-14-17-9-5-4-6-10-17/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyXAKVIJHLBUOFIY-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine

N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine (PubChem CID 62106839) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
PubChem CID62106839
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)C)OCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-15(2)20-13-19(18-11-7-8-16(3)12-18)21-14-17-9-5-4-6-10-17/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyXAKVIJHLBUOFIY-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 62106007
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 103285192
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate
CID 101186252
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine (CID 62106839) is N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine is Cc1cccc(C(CNC(C)C)OCc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine?
The InChIKey is XAKVIJHLBUOFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)20-13-19(18-11-7-8-16(3)12-18)21-14-17-9-5-4-6-10-17/h4-12,15,19-20H,13-14H2,1-3H3.
What are the key properties of N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine?
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine has a molecular weight of 283.41 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine is sourced from PubChem (CID 62106839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).