N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine

C14H19NO — CID 11586570

IUPACN,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine
SMILESCCN(CC)CC#Cc1cccc(OC)c1
InChIInChI=1S/C14H19NO/c1-4-15(5-2)11-7-9-13-8-6-10-14(12-13)16-3/h6,8,10,12H,4-5,11H2,1-3H3
InChIKeyMVHBNBMCUAGZPA-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.39
Rot. Bonds4

About N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine

N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine (PubChem CID 11586570) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine
PubChem CID11586570
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine
SMILESCCN(CC)CC#Cc1cccc(OC)c1
InChIInChI=1S/C14H19NO/c1-4-15(5-2)11-7-9-13-8-6-10-14(12-13)16-3/h6,8,10,12H,4-5,11H2,1-3H3
InChIKeyMVHBNBMCUAGZPA-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-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

1-(4-bromobut-1-ynyl)-3-methoxybenzene
CID 170465696
N,N-diethyl-3-(3-methylphenyl)prop-2-yn-1-amine;hydrochloride
CID 45127578
3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75365696
N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide
CID 154716586
5-(3-methoxyphenyl)pent-4-yn-1-ol
CID 112554273
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
2,7-bis[2-(3-methoxyphenyl)ethynyl]naphthalene
CID 171920371
4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
CID 54923470
methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate
CID 62339712
1-ethynyl-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 25117715
3-(4-tert-butylphenyl)-N,N-diethylprop-2-yn-1-amine
CID 146002814
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine?
The IUPAC name of N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine (CID 11586570) is N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine.
What is the SMILES notation for N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine?
The canonical SMILES for N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine is CCN(CC)CC#Cc1cccc(OC)c1.
What is the InChIKey of N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine?
The InChIKey is MVHBNBMCUAGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-15(5-2)11-7-9-13-8-6-10-14(12-13)16-3/h6,8,10,12H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine?
N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 11586570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).