1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine

C15H25FN2 — CID 114246559

IUPAC1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)c1ccncc1F
InChIInChI=1S/C15H25FN2/c1-4-6-7-12(3)15(18-9-5-2)13-8-10-17-11-14(13)16/h8,10-12,15,18H,4-7,9H2,1-3H3
InChIKeyDTHHJZWUSBCMAY-UHFFFAOYSA-N
MW252.38 g/mol
LogP4.09
Rot. Bonds8

About 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine

1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine (PubChem CID 114246559) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
PubChem CID114246559
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)c1ccncc1F
InChIInChI=1S/C15H25FN2/c1-4-6-7-12(3)15(18-9-5-2)13-8-10-17-11-14(13)16/h8,10-12,15,18H,4-7,9H2,1-3H3
InChIKeyDTHHJZWUSBCMAY-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
CID 107896816
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine (CID 114246559) is 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine is CCCCC(C)C(NCCC)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine?
The InChIKey is DTHHJZWUSBCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-6-7-12(3)15(18-9-5-2)13-8-10-17-11-14(13)16/h8,10-12,15,18H,4-7,9H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine?
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine has a molecular weight of 252.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 114246559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).