(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

C18H23ClN2O2 — CID 162331548

IUPAC(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCOc1ccccc1Oc1cccc(CN2CC[C@H](N)C2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-21-17-7-2-3-8-18(17)22-16-6-4-5-14(11-16)12-20-10-9-15(19)13-20;/h2-8,11,15H,9-10,12-13,19H2,1H3;1H/t15-;/m0./s1
InChIKeyBJXLITXWEIBAMA-RSAXXLAASA-N
MW334.85 g/mol
LogP3.44
Rot. Bonds5

About (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 162331548) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID162331548
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCOc1ccccc1Oc1cccc(CN2CC[C@H](N)C2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-21-17-7-2-3-8-18(17)22-16-6-4-5-14(11-16)12-20-10-9-15(19)13-20;/h2-8,11,15H,9-10,12-13,19H2,1H3;1H/t15-;/m0./s1
InChIKeyBJXLITXWEIBAMA-RSAXXLAASA-N
XLogP3.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (CID 162331548) is (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is COc1ccccc1Oc1cccc(CN2CC[C@H](N)C2)c1.Cl.
What is the InChIKey of (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is BJXLITXWEIBAMA-RSAXXLAASA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-21-17-7-2-3-8-18(17)22-16-6-4-5-14(11-16)12-20-10-9-15(19)13-20;/h2-8,11,15H,9-10,12-13,19H2,1H3;1H/t15-;/m0./s1.
What are the key properties of (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 162331548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).