N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine

C14H21NO — CID 28725701

IUPACN-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNCc1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-4-16-9-5-8-15-11-14-7-6-12(2)10-13(14)3/h4,6-7,10,15H,1,5,8-9,11H2,2-3H3
InChIKeyVNWLVXDQLBTDBM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds7

About N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine

N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine (PubChem CID 28725701) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine
PubChem CID28725701
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNCc1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-4-16-9-5-8-15-11-14-7-6-12(2)10-13(14)3/h4,6-7,10,15H,1,5,8-9,11H2,2-3H3
InChIKeyVNWLVXDQLBTDBM-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
4-[(2,4-dimethylphenyl)methylamino]butanenitrile
CID 115231662
methyl 4-[(2,4-dimethylphenyl)methylamino]butanoate
CID 54920507
N-[(2,4-dimethylphenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647860
5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43663684
N-[(5-bromo-2-fluorophenyl)methyl]-3-ethenoxypropan-1-amine
CID 28725705
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol
CID 111467465
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-ethenoxypropan-1-amine
CID 43220909

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine (CID 28725701) is N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine is C=COCCCNCc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine?
The InChIKey is VNWLVXDQLBTDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-16-9-5-8-15-11-14-7-6-12(2)10-13(14)3/h4,6-7,10,15H,1,5,8-9,11H2,2-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine?
N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine is sourced from PubChem (CID 28725701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).