1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine

C16H25ClN2O — CID 115984984

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1ccncc1Cl
InChIInChI=1S/C16H25ClN2O/c1-2-19-14(6-7-15-5-3-4-10-20-15)11-13-8-9-18-12-16(13)17/h8-9,12,14-15,19H,2-7,10-11H2,1H3
InChIKeyHPJRPNVUWMYCHY-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.60
Rot. Bonds7

About 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine

1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine (PubChem CID 115984984) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
PubChem CID115984984
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1ccncc1Cl
InChIInChI=1S/C16H25ClN2O/c1-2-19-14(6-7-15-5-3-4-10-20-15)11-13-8-9-18-12-16(13)17/h8-9,12,14-15,19H,2-7,10-11H2,1H3
InChIKeyHPJRPNVUWMYCHY-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
CID 105038119
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 104996517
N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine
CID 66447563
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928424
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine (CID 115984984) is 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine is CCNC(CCC1CCCCO1)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine?
The InChIKey is HPJRPNVUWMYCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-19-14(6-7-15-5-3-4-10-20-15)11-13-8-9-18-12-16(13)17/h8-9,12,14-15,19H,2-7,10-11H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine?
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine has a molecular weight of 296.84 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 115984984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).