1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine

C14H17F4NO2 — CID 103724428

IUPAC1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc(OC(F)F)cc2OC(F)F)CC1
InChIInChI=1S/C14H17F4NO2/c1-14(4-5-14)8-19-7-9-2-3-10(20-12(15)16)6-11(9)21-13(17)18/h2-3,6,12-13,19H,4-5,7-8H2,1H3
InChIKeyPQMJZQIDKUQNJY-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.78
Rot. Bonds8

About 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine

1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine (PubChem CID 103724428) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
PubChem CID103724428
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC Name1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc(OC(F)F)cc2OC(F)F)CC1
InChIInChI=1S/C14H17F4NO2/c1-14(4-5-14)8-19-7-9-2-3-10(20-12(15)16)6-11(9)21-13(17)18/h2-3,6,12-13,19H,4-5,7-8H2,1H3
InChIKeyPQMJZQIDKUQNJY-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743674
1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 63932490
methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
CID 43503462
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-2-methylsulfanylethanamine
CID 60658322
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
CID 43400195
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]but-3-yn-2-amine
CID 114414934
(2S)-2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]butan-1-ol
CID 104980379
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933828
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclopentane-1-carboxamide
CID 119338913

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine (CID 103724428) is 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine is CC1(CNCc2ccc(OC(F)F)cc2OC(F)F)CC1.
What is the InChIKey of 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine?
The InChIKey is PQMJZQIDKUQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-14(4-5-14)8-19-7-9-2-3-10(20-12(15)16)6-11(9)21-13(17)18/h2-3,6,12-13,19H,4-5,7-8H2,1H3.
What are the key properties of 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine?
1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine has a molecular weight of 307.29 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103724428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).