1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol

C15H23ClN2O — CID 104985405

IUPAC1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
SMILESC[C@@H](N)c1ccc(N(C)CC2(O)CCCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(17)12-5-6-14(13(16)9-12)18(2)10-15(19)7-3-4-8-15/h5-6,9,11,19H,3-4,7-8,10,17H2,1-2H3/t11-/m1/s1
InChIKeyCOTFGBFBCQCIMC-LLVKDONJSA-N
MW282.81 g/mol
LogP3.10
Rot. Bonds4

About 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol

1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol (PubChem CID 104985405) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
PubChem CID104985405
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
SMILESC[C@@H](N)c1ccc(N(C)CC2(O)CCCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(17)12-5-6-14(13(16)9-12)18(2)10-15(19)7-3-4-8-15/h5-6,9,11,19H,3-4,7-8,10,17H2,1-2H3/t11-/m1/s1
InChIKeyCOTFGBFBCQCIMC-LLVKDONJSA-N
XLogP3.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516
4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950051
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
CID 63368307
4-(1-aminoethyl)-2-chloro-N-methyl-N-(3-methylsulfanylpropyl)aniline
CID 114237199
1-[[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950286

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol (CID 104985405) is 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol is C[C@@H](N)c1ccc(N(C)CC2(O)CCCC2)c(Cl)c1.
What is the InChIKey of 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
The InChIKey is COTFGBFBCQCIMC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(17)12-5-6-14(13(16)9-12)18(2)10-15(19)7-3-4-8-15/h5-6,9,11,19H,3-4,7-8,10,17H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol has a molecular weight of 282.81 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 104985405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).