[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone

C18H19ClN2O2 — CID 124612110

IUPAC[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
SMILESNC[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-15-2-1-3-17(10-15)23-16-6-4-14(5-7-16)18(22)21-9-8-13(11-20)12-21/h1-7,10,13H,8-9,11-12,20H2/t13-/m1/s1
InChIKeyRGCGDQRJRPKCCN-CYBMUJFWSA-N
MW330.82 g/mol
LogP3.55
Rot. Bonds4

About [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone

[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone (PubChem CID 124612110) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
PubChem CID124612110
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
SMILESNC[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-15-2-1-3-17(10-15)23-16-6-4-14(5-7-16)18(22)21-9-8-13(11-20)12-21/h1-7,10,13H,8-9,11-12,20H2/t13-/m1/s1
InChIKeyRGCGDQRJRPKCCN-CYBMUJFWSA-N
XLogP3.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882609
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
CID 71730904
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
N-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3,5-dichlorobenzamide
CID 119483979
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone
CID 119381238

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone?
The IUPAC name of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone (CID 124612110) is [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone?
The canonical SMILES for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone is NC[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1.
What is the InChIKey of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone?
The InChIKey is RGCGDQRJRPKCCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-2-1-3-17(10-15)23-16-6-4-14(5-7-16)18(22)21-9-8-13(11-20)12-21/h1-7,10,13H,8-9,11-12,20H2/t13-/m1/s1.
What are the key properties of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone?
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone has a molecular weight of 330.82 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone is sourced from PubChem (CID 124612110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).