N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine

C14H20ClFN2 — CID 62580892

IUPACN-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-2-17-9-13-4-3-7-18(13)10-11-5-6-12(16)8-14(11)15/h5-6,8,13,17H,2-4,7,9-10H2,1H3
InChIKeyYHFJJELSGWODNX-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds5

About N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine

N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62580892) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62580892
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-2-17-9-13-4-3-7-18(13)10-11-5-6-12(16)8-14(11)15/h5-6,8,13,17H,2-4,7,9-10H2,1H3
InChIKeyYHFJJELSGWODNX-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62580726
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582200
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580390
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 66537691
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 104792400
2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620187

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine (CID 62580892) is N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1Cc1ccc(F)cc1Cl.
What is the InChIKey of N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is YHFJJELSGWODNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-2-17-9-13-4-3-7-18(13)10-11-5-6-12(16)8-14(11)15/h5-6,8,13,17H,2-4,7,9-10H2,1H3.
What are the key properties of N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62580892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).