methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate

C17H26N2O2 — CID 115463073

IUPACmethyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN(C)C1CCCC1CN
InChIInChI=1S/C17H26N2O2/c1-19(16-9-5-8-14(16)11-18)12-15-7-4-3-6-13(15)10-17(20)21-2/h3-4,6-7,14,16H,5,8-12,18H2,1-2H3
InChIKeySXLQOJFLAPDYCU-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.96
Rot. Bonds6

About methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate

methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate (PubChem CID 115463073) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate
PubChem CID115463073
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namemethyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN(C)C1CCCC1CN
InChIInChI=1S/C17H26N2O2/c1-19(16-9-5-8-14(16)11-18)12-15-7-4-3-6-13(15)10-17(20)21-2/h3-4,6-7,14,16H,5,8-12,18H2,1-2H3
InChIKeySXLQOJFLAPDYCU-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115462776
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate
CID 63382843
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine
CID 80703288
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
methyl 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzoate
CID 102632732
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 80703550
ethyl 3-[[2-(2-methoxy-2-oxoethyl)phenyl]methyl-methylamino]propanoate
CID 115463319
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine
CID 66190354
methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
CID 115031363
2-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 61414255

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate (CID 115463073) is methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN(C)C1CCCC1CN.
What is the InChIKey of methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate?
The InChIKey is SXLQOJFLAPDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(16-9-5-8-14(16)11-18)12-15-7-4-3-6-13(15)10-17(20)21-2/h3-4,6-7,14,16H,5,8-12,18H2,1-2H3.
What are the key properties of methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate?
methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate has a molecular weight of 290.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate is sourced from PubChem (CID 115463073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).