N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine

C14H21NO — CID 143260557

IUPACN,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
SMILESC/C=C\c1ccc(OCCCN(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-6-13-7-9-14(10-8-13)16-12-5-11-15(2)3/h4,6-10H,5,11-12H2,1-3H3/b6-4-
InChIKeyZXVLNGWYAGJUBJ-XQRVVYSFSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds6

About N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine

N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine (PubChem CID 143260557) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
PubChem CID143260557
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
SMILESC/C=C\c1ccc(OCCCN(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-6-13-7-9-14(10-8-13)16-12-5-11-15(2)3/h4,6-10H,5,11-12H2,1-3H3/b6-4-
InChIKeyZXVLNGWYAGJUBJ-XQRVVYSFSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
1-[4-[3-(dimethylamino)propoxy]phenyl]-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554617
2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131
N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine
CID 118960630
3-[4-[(E)-2-[6-[(E)-2-[4-[3-(dimethylamino)propoxy]phenyl]ethenyl]-1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]ethenyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 89021779
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
3-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroprop-2-enoic acid
CID 67567650
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine (CID 143260557) is N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine is C/C=C\c1ccc(OCCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine?
The InChIKey is ZXVLNGWYAGJUBJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-13-7-9-14(10-8-13)16-12-5-11-15(2)3/h4,6-10H,5,11-12H2,1-3H3/b6-4-.
What are the key properties of N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine?
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine is sourced from PubChem (CID 143260557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).