N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine

C14H19F2NO — CID 153302379

IUPACN-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(OCC2CC2)ccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-9(2)17-7-11-13(18-8-10-3-4-10)6-5-12(15)14(11)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeySPDKDBGZMYPERC-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.25
Rot. Bonds6

About N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine

N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine (PubChem CID 153302379) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine
PubChem CID153302379
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(OCC2CC2)ccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-9(2)17-7-11-13(18-8-10-3-4-10)6-5-12(15)14(11)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeySPDKDBGZMYPERC-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
CID 139460540
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine
CID 106929383
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene
CID 166931519
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
N-[[6-methyl-3-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151236

Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine (CID 153302379) is N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine is CC(C)NCc1c(OCC2CC2)ccc(F)c1F.
What is the InChIKey of N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine?
The InChIKey is SPDKDBGZMYPERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)17-7-11-13(18-8-10-3-4-10)6-5-12(15)14(11)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine?
N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine has a molecular weight of 255.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 153302379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).