N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine

C15H21F3N2O — CID 102708548

IUPACN-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(c1cnccc1C(F)(F)F)C(OC)C1CC1
InChIInChI=1S/C15H21F3N2O/c1-3-7-20-13(14(21-2)10-4-5-10)11-9-19-8-6-12(11)15(16,17)18/h6,8-10,13-14,20H,3-5,7H2,1-2H3
InChIKeyBHNDNRBRBKLDOO-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.57
Rot. Bonds7

About N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine

N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine (PubChem CID 102708548) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
PubChem CID102708548
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(c1cnccc1C(F)(F)F)C(OC)C1CC1
InChIInChI=1S/C15H21F3N2O/c1-3-7-20-13(14(21-2)10-4-5-10)11-9-19-8-6-12(11)15(16,17)18/h6,8-10,13-14,20H,3-5,7H2,1-2H3
InChIKeyBHNDNRBRBKLDOO-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
N-[2-cyclopropyl-2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783709
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707932
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978
N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 106858910
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797
2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine
CID 116771778

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine (CID 102708548) is N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine is CCCNC(c1cnccc1C(F)(F)F)C(OC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
The InChIKey is BHNDNRBRBKLDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-7-20-13(14(21-2)10-4-5-10)11-9-19-8-6-12(11)15(16,17)18/h6,8-10,13-14,20H,3-5,7H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine?
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine has a molecular weight of 302.34 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 102708548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).