N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine

C15H23NO — CID 60880054

IUPACN-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1c(C)cc(CNC(C)C)cc1C
InChIInChI=1S/C15H23NO/c1-6-7-17-15-12(4)8-14(9-13(15)5)10-16-11(2)3/h6,8-9,11,16H,1,7,10H2,2-5H3
InChIKeyZRAWYBXNRRIGCW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.37
Rot. Bonds6

About N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine

N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine (PubChem CID 60880054) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
PubChem CID60880054
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1c(C)cc(CNC(C)C)cc1C
InChIInChI=1S/C15H23NO/c1-6-7-17-15-12(4)8-14(9-13(15)5)10-16-11(2)3/h6,8-9,11,16H,1,7,10H2,2-5H3
InChIKeyZRAWYBXNRRIGCW-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60880056
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
N-[(4-but-3-ynoxy-3,5-dimethylphenyl)methyl]propan-2-amine
CID 55028257
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine
CID 55058277
N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276802
N-[(3,5-dibromo-4-but-3-enoxyphenyl)methyl]propan-2-amine
CID 107742720
N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60657611
N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 79892106
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141916
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64749252

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine (CID 60880054) is N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine is C=CCOc1c(C)cc(CNC(C)C)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine?
The InChIKey is ZRAWYBXNRRIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-7-17-15-12(4)8-14(9-13(15)5)10-16-11(2)3/h6,8-9,11,16H,1,7,10H2,2-5H3.
What are the key properties of N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine?
N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 60880054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).