N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine

C17H21NO — CID 63942707

IUPACN-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccccc1Oc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)18-12-15-8-6-9-16(11-15)19-17-10-5-4-7-14(17)3/h4-11,13,18H,12H2,1-3H3
InChIKeyOOAKPOPCULZYBS-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.29
Rot. Bonds5

About N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine

N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 63942707) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID63942707
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccccc1Oc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)18-12-15-8-6-9-16(11-15)19-17-10-5-4-7-14(17)3/h4-11,13,18H,12H2,1-3H3
InChIKeyOOAKPOPCULZYBS-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[3-(2-nitrophenoxy)phenyl]methyl]propan-2-amine
CID 63942526
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[3-(2-bromo-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63941535
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine
CID 150548466
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine (CID 63942707) is N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine is Cc1ccccc1Oc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is OOAKPOPCULZYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)18-12-15-8-6-9-16(11-15)19-17-10-5-4-7-14(17)3/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63942707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).