N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine

C11H13NO — CID 60883159

IUPACN-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1cccc(CNC)c1
InChIInChI=1S/C11H13NO/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h1,4-6,8,12H,7,9H2,2H3
InChIKeyNIRZLTDDCQKVTE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine

N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine (PubChem CID 60883159) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
PubChem CID60883159
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
SMILESC#CCOc1cccc(CNC)c1
InChIInChI=1S/C11H13NO/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h1,4-6,8,12H,7,9H2,2H3
InChIKeyNIRZLTDDCQKVTE-UHFFFAOYSA-N
XLogP1.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
CID 94074486
3-methyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126224
(3-prop-2-ynoxyphenyl)methanol
CID 10797067
N-[(3-prop-2-ynoxyphenyl)methyl]heptan-1-amine
CID 98128493
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
2,4-dimethyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126586
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine (CID 60883159) is N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine is C#CCOc1cccc(CNC)c1.
What is the InChIKey of N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine?
The InChIKey is NIRZLTDDCQKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h1,4-6,8,12H,7,9H2,2H3.
What are the key properties of N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine?
N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine has a molecular weight of 175.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine is sourced from PubChem (CID 60883159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).