(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine

C17H26N2O — CID 129366909

IUPAC(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
SMILESCC(C)Oc1ccccc1CN[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)20-17-6-4-3-5-14(17)11-18-15-9-10-19(12-15)16-7-8-16/h3-6,13,15-16,18H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyKVEWFDNFYPNWQL-HNNXBMFYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds6

About (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine

(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 129366909) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID129366909
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
SMILESCC(C)Oc1ccccc1CN[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)20-17-6-4-3-5-14(17)11-18-15-9-10-19(12-15)16-7-8-16/h3-6,13,15-16,18H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyKVEWFDNFYPNWQL-HNNXBMFYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763475
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94797430
N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 106862537
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560901
(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 129366905
1-cyclopropyl-N-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 63986474
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
CID 103700313
1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 107349090
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine (CID 129366909) is (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine is CC(C)Oc1ccccc1CN[C@H]1CCN(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is KVEWFDNFYPNWQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)20-17-6-4-3-5-14(17)11-18-15-9-10-19(12-15)16-7-8-16/h3-6,13,15-16,18H,7-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 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-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 129366909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).