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

C17H21NO — CID 43283112

IUPACN-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccccc2CNC(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)18-12-15-8-4-5-10-17(15)19-16-9-6-7-14(3)11-16/h4-11,13,18H,12H2,1-3H3
InChIKeyVJTVQPYGCHLJFR-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.29
Rot. Bonds5

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

N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43283112) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID43283112
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccccc2CNC(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)18-12-15-8-4-5-10-17(15)19-16-9-6-7-14(3)11-16/h4-11,13,18H,12H2,1-3H3
InChIKeyVJTVQPYGCHLJFR-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-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63551068
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43283842
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]propan-2-amine
CID 43283537
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86896713
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine (CID 43283112) is N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine is Cc1cccc(Oc2ccccc2CNC(C)C)c1.
What is the InChIKey of N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is VJTVQPYGCHLJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)18-12-15-8-4-5-10-17(15)19-16-9-6-7-14(3)11-16/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine?
N-[[2-(3-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-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43283112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).