N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine

C13H19NO — CID 142928998

IUPACN-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
SMILESC=C(NCCC)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-8-14-11(3)12-6-7-13(15-4)10(2)9-12/h6-7,9,14H,3,5,8H2,1-2,4H3
InChIKeyWSKGVBSUWTWUHS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine

N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine (PubChem CID 142928998) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
PubChem CID142928998
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
SMILESC=C(NCCC)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-8-14-11(3)12-6-7-13(15-4)10(2)9-12/h6-7,9,14H,3,5,8H2,1-2,4H3
InChIKeyWSKGVBSUWTWUHS-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine
CID 156841468
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(Z)-2-(3,4-dimethoxyphenyl)-3-(propylamino)but-2-enenitrile
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4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
1-(3-methoxy-4-methylphenyl)-N-methylethenamine
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N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
CID 94269258
1-ethyl-2-[(4-methoxy-3-methylphenyl)methyl]-3-propylguanidine;hydroiodide
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4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine (CID 142928998) is N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine is C=C(NCCC)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine?
The InChIKey is WSKGVBSUWTWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-8-14-11(3)12-6-7-13(15-4)10(2)9-12/h6-7,9,14H,3,5,8H2,1-2,4H3.
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine?
N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine is sourced from PubChem (CID 142928998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).