N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine

C19H26N2 — CID 82732767

IUPACN-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1ncccc1CC
InChIInChI=1S/C19H26N2/c1-5-15-8-7-13-21-18(15)19(20-6-2)17-11-9-16(10-12-17)14(3)4/h7-14,19-20H,5-6H2,1-4H3
InChIKeySZCPVHDHWGWVKV-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.47
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine

N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 82732767) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID82732767
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1ncccc1CC
InChIInChI=1S/C19H26N2/c1-5-15-8-7-13-21-18(15)19(20-6-2)17-11-9-16(10-12-17)14(3)4/h7-14,19-20H,5-6H2,1-4H3
InChIKeySZCPVHDHWGWVKV-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 107560643
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82729644
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895
N-[(3-ethyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 82732775
N,2-diethyl-1-(3-ethyl-2-pyridinyl)butan-1-amine
CID 82730100
N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62548712
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 113370645
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 82732624
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732781

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine (CID 82732767) is N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine is CCNC(c1ccc(C(C)C)cc1)c1ncccc1CC.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is SZCPVHDHWGWVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-15-8-7-13-21-18(15)19(20-6-2)17-11-9-16(10-12-17)14(3)4/h7-14,19-20H,5-6H2,1-4H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 82732767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).