N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine

C14H21FN2O — CID 116722908

IUPACN-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)C(OC)C1CC1
InChIInChI=1S/C14H21FN2O/c1-3-7-17-13(14(18-2)10-4-5-10)11-6-8-16-9-12(11)15/h6,8-10,13-14,17H,3-5,7H2,1-2H3
InChIKeyAZXOGSJAVCICAX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.69
Rot. Bonds7

About N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine

N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine (PubChem CID 116722908) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
PubChem CID116722908
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)C(OC)C1CC1
InChIInChI=1S/C14H21FN2O/c1-3-7-17-13(14(18-2)10-4-5-10)11-6-8-16-9-12(11)15/h6,8-10,13-14,17H,3-5,7H2,1-2H3
InChIKeyAZXOGSJAVCICAX-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine
CID 116771778
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
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
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
CID 116722802
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797
N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 107004989
N-[(3-fluoro-4-pyridinyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105038262

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine (CID 116722908) is N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine is CCCNC(c1ccncc1F)C(OC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine?
The InChIKey is AZXOGSJAVCICAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-7-17-13(14(18-2)10-4-5-10)11-6-8-16-9-12(11)15/h6,8-10,13-14,17H,3-5,7H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine?
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 116722908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).