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

C18H23NO — CID 39368949

IUPACN-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccccc1COc1cccc(CNC(C)C)c1
InChIInChI=1S/C18H23NO/c1-14(2)19-12-16-8-6-10-18(11-16)20-13-17-9-5-4-7-15(17)3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyXOPDSRUINKPKOQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds6

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

N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 39368949) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID39368949
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccccc1COc1cccc(CNC(C)C)c1
InChIInChI=1S/C18H23NO/c1-14(2)19-12-16-8-6-10-18(11-16)20-13-17-9-5-4-7-15(17)3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyXOPDSRUINKPKOQ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993135
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 106861670
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111433717
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346908
N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
CID 154512400

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine (CID 39368949) is N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine is Cc1ccccc1COc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is XOPDSRUINKPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)19-12-16-8-6-10-18(11-16)20-13-17-9-5-4-7-15(17)3/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 39368949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).