oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate

C14H20N2O3 — CID 43309341

IUPACoxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
SMILESNCc1ccc(NC(=O)OCC2CCCCO2)cc1
InChIInChI=1S/C14H20N2O3/c15-9-11-4-6-12(7-5-11)16-14(17)19-10-13-3-1-2-8-18-13/h4-7,13H,1-3,8-10,15H2,(H,16,17)
InChIKeyBSRDUFZCKHBNMG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.26
Rot. Bonds4

About oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate

oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate (PubChem CID 43309341) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Nameoxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
PubChem CID43309341
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameoxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
SMILESNCc1ccc(NC(=O)OCC2CCCCO2)cc1
InChIInChI=1S/C14H20N2O3/c15-9-11-4-6-12(7-5-11)16-14(17)19-10-13-3-1-2-8-18-13/h4-7,13H,1-3,8-10,15H2,(H,16,17)
InChIKeyBSRDUFZCKHBNMG-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
oxan-2-ylmethyl N-[4-[amino-(3-thiophen-2-ylphenyl)carbamoyl]phenyl]carbamate
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CID 119300314
2,2,2-trifluoroethyl N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamate
CID 94796306
2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid
CID 19000939
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate?
The IUPAC name of oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate (CID 43309341) is oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate?
The canonical SMILES for oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate is NCc1ccc(NC(=O)OCC2CCCCO2)cc1.
What is the InChIKey of oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate?
The InChIKey is BSRDUFZCKHBNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-9-11-4-6-12(7-5-11)16-14(17)19-10-13-3-1-2-8-18-13/h4-7,13H,1-3,8-10,15H2,(H,16,17).
What are the key properties of oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate?
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 43309341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).