N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine

C18H23NO — CID 63942115

IUPACN-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H23NO/c1-4-8-19-13-16-6-5-7-17(12-16)20-18-10-14(2)9-15(3)11-18/h5-7,9-12,19H,4,8,13H2,1-3H3
InChIKeyZWYQKCPQAHEQLC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.60
Rot. Bonds6

About N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine

N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine (PubChem CID 63942115) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
PubChem CID63942115
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H23NO/c1-4-8-19-13-16-6-5-7-17(12-16)20-18-10-14(2)9-15(3)11-18/h5-7,9-12,19H,4,8,13H2,1-3H3
InChIKeyZWYQKCPQAHEQLC-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 19069340
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[4-(3,5-dimethylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43283078
N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine
CID 103175271
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine
CID 60883169

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine (CID 63942115) is N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(Oc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine?
The InChIKey is ZWYQKCPQAHEQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-8-19-13-16-6-5-7-17(12-16)20-18-10-14(2)9-15(3)11-18/h5-7,9-12,19H,4,8,13H2,1-3H3.
What are the key properties of N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine?
N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63942115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).