N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine

C14H18ClNO2 — CID 61365570

IUPACN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2cc(Cl)c3c(c2)OCO3)CCCC1
InChIInChI=1S/C14H18ClNO2/c1-14(4-2-3-5-14)16-8-10-6-11(15)13-12(7-10)17-9-18-13/h6-7,16H,2-5,8-9H2,1H3
InChIKeyYLMWYVRSUSGHJR-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.49
Rot. Bonds3

About N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine

N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 61365570) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
PubChem CID61365570
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2cc(Cl)c3c(c2)OCO3)CCCC1
InChIInChI=1S/C14H18ClNO2/c1-14(4-2-3-5-14)16-8-10-6-11(15)13-12(7-10)17-9-18-13/h6-7,16H,2-5,8-9H2,1H3
InChIKeyYLMWYVRSUSGHJR-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(7-chloro-1,3-benzodioxol-5-yl)methylamino]methyl]cycloheptan-1-ol
CID 65123381
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine
CID 43087529
2-(7-chloro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 64868326
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749089
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759652
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]octan-1-amine
CID 78911417
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpiperazin-1-amine
CID 83009468
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365576
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43217196
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464221
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61350794
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454425

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine (CID 61365570) is N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine is CC1(NCc2cc(Cl)c3c(c2)OCO3)CCCC1.
What is the InChIKey of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is YLMWYVRSUSGHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(4-2-3-5-14)16-8-10-6-11(15)13-12(7-10)17-9-18-13/h6-7,16H,2-5,8-9H2,1H3.
What are the key properties of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine?
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 267.76 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 61365570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).