[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate

C14H23N3O2 — CID 144618323

IUPAC[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(C(CCCN)NC)cc1
InChIInChI=1S/C14H23N3O2/c1-16-13(4-3-9-15)12-7-5-11(6-8-12)10-19-14(18)17-2/h5-8,13,16H,3-4,9-10,15H2,1-2H3,(H,17,18)
InChIKeyFYYBTSGKTPUZHM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds7

About [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate

[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate (PubChem CID 144618323) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
PubChem CID144618323
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(C(CCCN)NC)cc1
InChIInChI=1S/C14H23N3O2/c1-16-13(4-3-9-15)12-7-5-11(6-8-12)10-19-14(18)17-2/h5-8,13,16H,3-4,9-10,15H2,1-2H3,(H,17,18)
InChIKeyFYYBTSGKTPUZHM-UHFFFAOYSA-N
XLogP1.54
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
The IUPAC name of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate (CID 144618323) is [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1ccc(C(CCCN)NC)cc1.
What is the InChIKey of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
The InChIKey is FYYBTSGKTPUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-13(4-3-9-15)12-7-5-11(6-8-12)10-19-14(18)17-2/h5-8,13,16H,3-4,9-10,15H2,1-2H3,(H,17,18).
What are the key properties of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate has a molecular weight of 265.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 144618323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).