N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine

C19H23ClN2O — CID 97000762

IUPACN-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1cccc(N2CC[C@H](CNCc3ccccc3Cl)C2)c1
InChIInChI=1S/C19H23ClN2O/c1-23-18-7-4-6-17(11-18)22-10-9-15(14-22)12-21-13-16-5-2-3-8-19(16)20/h2-8,11,15,21H,9-10,12-14H2,1H3/t15-/m1/s1
InChIKeyYBXWJFSAPASWKY-OAHLLOKOSA-N
MW330.86 g/mol
LogP3.96
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine

N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 97000762) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
PubChem CID97000762
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1cccc(N2CC[C@H](CNCc3ccccc3Cl)C2)c1
InChIInChI=1S/C19H23ClN2O/c1-23-18-7-4-6-17(11-18)22-10-9-15(14-22)12-21-13-16-5-2-3-8-19(16)20/h2-8,11,15,21H,9-10,12-14H2,1H3/t15-/m1/s1
InChIKeyYBXWJFSAPASWKY-OAHLLOKOSA-N
XLogP3.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
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2-methoxy-5-[[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]methyl]phenol
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3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
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1-(2-chlorophenyl)-N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
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1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111215988
1-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111848514
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine (CID 97000762) is N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine is COc1cccc(N2CC[C@H](CNCc3ccccc3Cl)C2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is YBXWJFSAPASWKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-23-18-7-4-6-17(11-18)22-10-9-15(14-22)12-21-13-16-5-2-3-8-19(16)20/h2-8,11,15,21H,9-10,12-14H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine?
N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 330.86 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 97000762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).