3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine

C15H21F2NO — CID 43206774

IUPAC3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
SMILESCC(NCCCOCC1CC1)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NO/c1-11(14-9-13(16)5-6-15(14)17)18-7-2-8-19-10-12-3-4-12/h5-6,9,11-12,18H,2-4,7-8,10H2,1H3
InChIKeyIQSAYNJNMWHYFH-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.43
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine (PubChem CID 43206774) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
PubChem CID43206774
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
SMILESCC(NCCCOCC1CC1)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NO/c1-11(14-9-13(16)5-6-15(14)17)18-7-2-8-19-10-12-3-4-12/h5-6,9,11-12,18H,2-4,7-8,10H2,1H3
InChIKeyIQSAYNJNMWHYFH-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
CID 102977961
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
N-[1-(2,5-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115900168
3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 60972295
N-[1-(2,5-difluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115720905
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819
3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43206746
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine (CID 43206774) is 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine is CC(NCCCOCC1CC1)c1cc(F)ccc1F.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is IQSAYNJNMWHYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(14-9-13(16)5-6-15(14)17)18-7-2-8-19-10-12-3-4-12/h5-6,9,11-12,18H,2-4,7-8,10H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43206774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).