N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine

C14H20F2N2O2 — CID 63298131

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1cc(CN(C)C2CCNC2)ccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-18(11-5-6-17-8-11)9-10-3-4-12(20-14(15)16)13(7-10)19-2/h3-4,7,11,14,17H,5-6,8-9H2,1-2H3
InChIKeyXTUMGNWFWYEMPX-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.09
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine (PubChem CID 63298131) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
PubChem CID63298131
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1cc(CN(C)C2CCNC2)ccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-18(11-5-6-17-8-11)9-10-3-4-12(20-14(15)16)13(7-10)19-2/h3-4,7,11,14,17H,5-6,8-9H2,1-2H3
InChIKeyXTUMGNWFWYEMPX-UHFFFAOYSA-N
XLogP2.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119929823
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
CID 82755517
1-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylethane-1,2-diamine
CID 116652609
(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 39973149
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine (CID 63298131) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine is COc1cc(CN(C)C2CCNC2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is XTUMGNWFWYEMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-18(11-5-6-17-8-11)9-10-3-4-12(20-14(15)16)13(7-10)19-2/h3-4,7,11,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 286.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63298131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).