(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine

C15H20F2N2O — CID 129366905

IUPAC(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)Oc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-14-5-1-11(2-6-14)9-18-12-7-8-19(10-12)13-3-4-13/h1-2,5-6,12-13,15,18H,3-4,7-10H2/t12-/m0/s1
InChIKeyXQAYWPNGIGSDFQ-LBPRGKRZSA-N
MW282.33 g/mol
LogP2.61
Rot. Bonds6

About (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine

(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 129366905) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
PubChem CID129366905
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)Oc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-14-5-1-11(2-6-14)9-18-12-7-8-19(10-12)13-3-4-13/h1-2,5-6,12-13,15,18H,3-4,7-10H2/t12-/m0/s1
InChIKeyXQAYWPNGIGSDFQ-LBPRGKRZSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
1-cyclopropyl-N-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-amine
CID 103437727
N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363768
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 129366909
N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 154793256
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 78942716

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine (CID 129366905) is (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine is FC(F)Oc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1.
What is the InChIKey of (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is XQAYWPNGIGSDFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-15(17)20-14-5-1-11(2-6-14)9-18-12-7-8-19(10-12)13-3-4-13/h1-2,5-6,12-13,15,18H,3-4,7-10H2/t12-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine?
(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 282.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 129366905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).