(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine

C14H18ClF2N — CID 114223881

IUPAC(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESC[C@H](NCC1CCC(F)(F)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClF2N/c1-10(12-3-2-4-13(15)7-12)18-9-11-5-6-14(16,17)8-11/h2-4,7,10-11,18H,5-6,8-9H2,1H3/t10-,11?/m0/s1
InChIKeyNISMKJYKULVUKA-VUWPPUDQSA-N
MW273.75 g/mol
LogP4.43
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine (PubChem CID 114223881) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
PubChem CID114223881
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESC[C@H](NCC1CCC(F)(F)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClF2N/c1-10(12-3-2-4-13(15)7-12)18-9-11-5-6-14(16,17)8-11/h2-4,7,10-11,18H,5-6,8-9H2,1H3/t10-,11?/m0/s1
InChIKeyNISMKJYKULVUKA-VUWPPUDQSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107266180
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260530
(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 25265632
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
1-(3-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102298
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine (CID 114223881) is (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine is C[C@H](NCC1CCC(F)(F)C1)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The InChIKey is NISMKJYKULVUKA-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H18ClF2N/c1-10(12-3-2-4-13(15)7-12)18-9-11-5-6-14(16,17)8-11/h2-4,7,10-11,18H,5-6,8-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine has a molecular weight of 273.75 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine is sourced from PubChem (CID 114223881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).