N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline

C14H15F2N3O — CID 66163708

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
SMILESFC(F)Oc1cccc(NCc2cncn2C2CC2)c1
InChIInChI=1S/C14H15F2N3O/c15-14(16)20-13-3-1-2-10(6-13)18-8-12-7-17-9-19(12)11-4-5-11/h1-3,6-7,9,11,14,18H,4-5,8H2
InChIKeyVHEKYRYUQSPSNT-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.43
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline

N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline (PubChem CID 66163708) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
PubChem CID66163708
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
SMILESFC(F)Oc1cccc(NCc2cncn2C2CC2)c1
InChIInChI=1S/C14H15F2N3O/c15-14(16)20-13-3-1-2-10(6-13)18-8-12-7-17-9-19(12)11-4-5-11/h1-3,6-7,9,11,14,18H,4-5,8H2
InChIKeyVHEKYRYUQSPSNT-UHFFFAOYSA-N
XLogP3.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66162069
3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109711
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-fluoroaniline
CID 66162716
6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine
CID 81266001
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 66162070
N-[(3-cyclopropylimidazol-4-yl)methyl]-1H-indazol-5-amine
CID 66164096
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline
CID 107621334
N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide
CID 66163750
2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-4-fluoroaniline
CID 66161889
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
2-chloro-4-[(3-cyclopropylimidazol-4-yl)methylamino]benzonitrile
CID 66164671

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline (CID 66163708) is N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline is FC(F)Oc1cccc(NCc2cncn2C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline?
The InChIKey is VHEKYRYUQSPSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-14(16)20-13-3-1-2-10(6-13)18-8-12-7-17-9-19(12)11-4-5-11/h1-3,6-7,9,11,14,18H,4-5,8H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline?
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline has a molecular weight of 279.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline is sourced from PubChem (CID 66163708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).