1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol

C17H27ClN2O — CID 114950569

IUPAC1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
SMILESCC(C)NCc1ccc(Cl)cc1N(C)CC1(O)CCCC1
InChIInChI=1S/C17H27ClN2O/c1-13(2)19-11-14-6-7-15(18)10-16(14)20(3)12-17(21)8-4-5-9-17/h6-7,10,13,19,21H,4-5,8-9,11-12H2,1-3H3
InChIKeyRRYLHXRZENRRAO-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.58
Rot. Bonds6

About 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol

1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol (PubChem CID 114950569) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
PubChem CID114950569
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
SMILESCC(C)NCc1ccc(Cl)cc1N(C)CC1(O)CCCC1
InChIInChI=1S/C17H27ClN2O/c1-13(2)19-11-14-6-7-15(18)10-16(14)20(3)12-17(21)8-4-5-9-17/h6-7,10,13,19,21H,4-5,8-9,11-12H2,1-3H3
InChIKeyRRYLHXRZENRRAO-UHFFFAOYSA-N
XLogP3.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950578
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
CID 115868668
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949633
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
1-[[2-(ethylaminomethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950572
2-(bromomethyl)-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 107085407
1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 114950640
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849013
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 114851500

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol (CID 114950569) is 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol is CC(C)NCc1ccc(Cl)cc1N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
The InChIKey is RRYLHXRZENRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-13(2)19-11-14-6-7-15(18)10-16(14)20(3)12-17(21)8-4-5-9-17/h6-7,10,13,19,21H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol?
1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol has a molecular weight of 310.87 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114950569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).