propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate

C14H20N2O2 — CID 106911597

IUPACpropan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-14(17)16-13-5-3-4-11(8-13)9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyXSBTWLANKNBPOC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.90
Rot. Bonds5

About propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate

propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate (PubChem CID 106911597) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
PubChem CID106911597
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namepropan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)18-14(17)16-13-5-3-4-11(8-13)9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyXSBTWLANKNBPOC-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate
CID 54406188
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
CID 97307154
3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline
CID 114284812
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
CID 106911358

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate (CID 106911597) is propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate is CC(C)OC(=O)Nc1cccc(CNC2CC2)c1.
What is the InChIKey of propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate?
The InChIKey is XSBTWLANKNBPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)18-14(17)16-13-5-3-4-11(8-13)9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate?
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 106911597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).