N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine

C19H23NO — CID 12807459

IUPACN-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OC(CCNC)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-9-16-12-7-8-13-18(16)21-19(14-15-20-2)17-10-5-4-6-11-17/h3-8,10-13,19-20H,1,9,14-15H2,2H3
InChIKeyQNCLCHUDFKHMNK-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.14
Rot. Bonds8

About N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine

N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine (PubChem CID 12807459) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
PubChem CID12807459
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OC(CCNC)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-9-16-12-7-8-13-18(16)21-19(14-15-20-2)17-10-5-4-6-11-17/h3-8,10-13,19-20H,1,9,14-15H2,2H3
InChIKeyQNCLCHUDFKHMNK-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
N,N-dimethyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine;oxalic acid
CID 12807425
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
CID 138738145
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine (CID 12807459) is N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine is C=CCc1ccccc1OC(CCNC)c1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The InChIKey is QNCLCHUDFKHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-9-16-12-7-8-13-18(16)21-19(14-15-20-2)17-10-5-4-6-11-17/h3-8,10-13,19-20H,1,9,14-15H2,2H3.
What are the key properties of N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine is sourced from PubChem (CID 12807459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).