N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine

C16H24N2 — CID 114413305

IUPACN-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
SMILESCCNCC(c1ccccc1)N1CC=C(C)CC1
InChIInChI=1S/C16H24N2/c1-3-17-13-16(15-7-5-4-6-8-15)18-11-9-14(2)10-12-18/h4-9,16-17H,3,10-13H2,1-2H3
InChIKeyNMTSPPFYCQIQNE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine

N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine (PubChem CID 114413305) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
PubChem CID114413305
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
SMILESCCNCC(c1ccccc1)N1CC=C(C)CC1
InChIInChI=1S/C16H24N2/c1-3-17-13-16(15-7-5-4-6-8-15)18-11-9-14(2)10-12-18/h4-9,16-17H,3,10-13H2,1-2H3
InChIKeyNMTSPPFYCQIQNE-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490718
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 114413245
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethyl]propan-1-amine
CID 114413386
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine
CID 63166626
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-2-phenylethanamine
CID 64579466
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
CID 114413146
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine
CID 55073071
N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413301
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
The IUPAC name of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine (CID 114413305) is N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
The canonical SMILES for N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine is CCNCC(c1ccccc1)N1CC=C(C)CC1.
What is the InChIKey of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
The InChIKey is NMTSPPFYCQIQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-17-13-16(15-7-5-4-6-8-15)18-11-9-14(2)10-12-18/h4-9,16-17H,3,10-13H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine is sourced from PubChem (CID 114413305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).