1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine

C15H25ClN2O — CID 105157342

IUPAC1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)OC)Cc1ccncc1Cl
InChIInChI=1S/C15H25ClN2O/c1-4-8-18-14(6-5-12(2)19-3)10-13-7-9-17-11-15(13)16/h7,9,11-12,14,18H,4-6,8,10H2,1-3H3
InChIKeyAXQPTPFXGSJOCZ-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.46
Rot. Bonds9

About 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine

1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine (PubChem CID 105157342) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine
PubChem CID105157342
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)OC)Cc1ccncc1Cl
InChIInChI=1S/C15H25ClN2O/c1-4-8-18-14(6-5-12(2)19-3)10-13-7-9-17-11-15(13)16/h7,9,11-12,14,18H,4-6,8,10H2,1-3H3
InChIKeyAXQPTPFXGSJOCZ-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-4,6,6-trimethyl-N-propylheptan-2-amine
CID 104994393
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928424
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107002016
5-methoxy-N-propyl-1-(2,4,6-trimethylphenyl)hexan-2-amine
CID 105120818
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
[1-(2-chlorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105286578
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine (CID 105157342) is 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine is CCCNC(CCC(C)OC)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine?
The InChIKey is AXQPTPFXGSJOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-8-18-14(6-5-12(2)19-3)10-13-7-9-17-11-15(13)16/h7,9,11-12,14,18H,4-6,8,10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine?
1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine has a molecular weight of 284.83 g/mol, XLogP of 3.46, 9 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)-5-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 105157342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).