N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine

C15H20ClFN2 — CID 102615523

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
SMILESFc1ccc(Cl)c(CNCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C15H20ClFN2/c16-15-4-1-13(17)7-12(15)9-18-8-11-5-6-19(10-11)14-2-3-14/h1,4,7,11,14,18H,2-3,5-6,8-10H2
InChIKeyQIHLCLNIZTWDHN-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.05
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine

N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine (PubChem CID 102615523) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
PubChem CID102615523
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
SMILESFc1ccc(Cl)c(CNCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C15H20ClFN2/c16-15-4-1-13(17)7-12(15)9-18-8-11-5-6-19(10-11)14-2-3-14/h1,4,7,11,14,18H,2-3,5-6,8-10H2
InChIKeyQIHLCLNIZTWDHN-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-4-fluorobenzonitrile
CID 107903968
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102615607
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol
CID 60976055
1-(2-chlorocyclopentyl)-N-[(2-chloro-5-fluorophenyl)methyl]methanamine
CID 102620173
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
CID 60761267
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 82993503
N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 79969166
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111568960

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine (CID 102615523) is N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine is Fc1ccc(Cl)c(CNCC2CCN(C3CC3)C2)c1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The InChIKey is QIHLCLNIZTWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-15-4-1-13(17)7-12(15)9-18-8-11-5-6-19(10-11)14-2-3-14/h1,4,7,11,14,18H,2-3,5-6,8-10H2.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine has a molecular weight of 282.79 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-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 102615523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).