N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine

C16H19NO — CID 55077028

IUPACN-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1cccc(COc2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-13-5-3-8-16(9-13)18-12-15-7-4-6-14(10-15)11-17-2/h3-10,17H,11-12H2,1-2H3
InChIKeyRWRNVPZNBHHJJG-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.29
Rot. Bonds5

About N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine

N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 55077028) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
PubChem CID55077028
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1cccc(COc2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-13-5-3-8-16(9-13)18-12-15-7-4-6-14(10-15)11-17-2/h3-10,17H,11-12H2,1-2H3
InChIKeyRWRNVPZNBHHJJG-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
CID 145495304
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 62548589
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
1-[3-(furan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486019
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
[3-[(3-methylphenyl)methoxy]phenyl]hydrazine
CID 82081355
N-methyl-1-[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanamine
CID 106486033

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine (CID 55077028) is N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine is CNCc1cccc(COc2cccc(C)c2)c1.
What is the InChIKey of N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is RWRNVPZNBHHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-5-3-8-16(9-13)18-12-15-7-4-6-14(10-15)11-17-2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine?
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 55077028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).