1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine

C15H22F2N2O — CID 43203420

IUPAC1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O/c1-12(18-7-10-19-8-2-3-9-19)13-5-4-6-14(11-13)20-15(16)17/h4-6,11-12,15,18H,2-3,7-10H2,1H3
InChIKeyKXUIULPPDKQXFS-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.03
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine

1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 43203420) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID43203420
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O/c1-12(18-7-10-19-8-2-3-9-19)13-5-4-6-14(11-13)20-15(16)17/h4-6,11-12,15,18H,2-3,7-10H2,1H3
InChIKeyKXUIULPPDKQXFS-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
CID 61493819
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 43203420) is 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine is CC(NCCN1CCCC1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is KXUIULPPDKQXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-12(18-7-10-19-8-2-3-9-19)13-5-4-6-14(11-13)20-15(16)17/h4-6,11-12,15,18H,2-3,7-10H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 284.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 43203420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).