(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine

C13H19NO — CID 143345571

IUPAC(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine
SMILESC=C(OC)c1ccc([C@H](CC)NC)cc1
InChIInChI=1S/C13H19NO/c1-5-13(14-3)12-8-6-11(7-9-12)10(2)15-4/h6-9,13-14H,2,5H2,1,3-4H3/t13-/m0/s1
InChIKeyDYHPDGLSDSAPIO-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.97
Rot. Bonds5

About (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine

(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 143345571) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine
PubChem CID143345571
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine
SMILESC=C(OC)c1ccc([C@H](CC)NC)cc1
InChIInChI=1S/C13H19NO/c1-5-13(14-3)12-8-6-11(7-9-12)10(2)15-4/h6-9,13-14H,2,5H2,1,3-4H3/t13-/m0/s1
InChIKeyDYHPDGLSDSAPIO-ZDUSSCGKSA-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

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-methoxyethenyl)phenyl]methanediol
CID 118121017
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
(1R)-1-[4-(1-methoxyethenyl)phenyl]prop-2-ene-1,2-diamine
CID 143346288
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine (CID 143345571) is (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine is C=C(OC)c1ccc([C@H](CC)NC)cc1.
What is the InChIKey of (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is DYHPDGLSDSAPIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-13(14-3)12-8-6-11(7-9-12)10(2)15-4/h6-9,13-14H,2,5H2,1,3-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine?
(1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-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 (1S)-1-[4-(1-methoxyethenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 143345571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).