1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine

C11H15ClN2O — CID 60860962

IUPAC1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccc(N2CCC(N)C2)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-3-2-9(6-10(11)12)14-5-4-8(13)7-14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyZEKDTNHZELVGIB-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.89
Rot. Bonds2

About 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine

1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine (PubChem CID 60860962) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
PubChem CID60860962
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccc(N2CCC(N)C2)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-3-2-9(6-10(11)12)14-5-4-8(13)7-14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyZEKDTNHZELVGIB-UHFFFAOYSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
1-(3-chloro-4-methoxyphenyl)-3-methylpiperazine
CID 64924296
N-[[1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55082717
2-[1-(3-chloro-4-methoxyphenyl)piperidin-3-yl]acetonitrile
CID 117026085
[4-(3-chloro-4-methoxyphenyl)piperazin-2-yl]methanamine
CID 117026857
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 107622018
1-(3-chloro-4-methoxyphenyl)-3-ethyl-1,4-diazepane
CID 64943773
2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
CID 894282
(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
CID 130693092

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine (CID 60860962) is 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine is COc1ccc(N2CCC(N)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine?
The InChIKey is ZEKDTNHZELVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-3-2-9(6-10(11)12)14-5-4-8(13)7-14/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine?
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 60860962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).