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

C14H21ClN2O — CID 114947842

IUPAC1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(Cl)cc1CN
InChIInChI=1S/C14H21ClN2O/c1-17(10-14(18)6-2-3-7-14)13-5-4-12(15)8-11(13)9-16/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3
InChIKeyRAMGUJLWRDMNMO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.54
Rot. Bonds4

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

1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol (PubChem CID 114947842) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
PubChem CID114947842
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccc(Cl)cc1CN
InChIInChI=1S/C14H21ClN2O/c1-17(10-14(18)6-2-3-7-14)13-5-4-12(15)8-11(13)9-16/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3
InChIKeyRAMGUJLWRDMNMO-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
CID 115868668
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950569
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949633
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol
CID 65208696
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114947828
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol (CID 114947842) is 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ccc(Cl)cc1CN.
What is the InChIKey of 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
The InChIKey is RAMGUJLWRDMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(10-14(18)6-2-3-7-14)13-5-4-12(15)8-11(13)9-16/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3.
What are the key properties of 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol?
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol has a molecular weight of 268.79 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114947842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).