propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate

C13H20N2O2 — CID 112738600

IUPACpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
SMILESCCCOC(=O)NCc1ccc(CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-2-9-17-13(16)15-10-12-5-3-11(4-6-12)7-8-14/h3-6H,2,7-10,14H2,1H3,(H,15,16)
InChIKeyVUDCFIZQIKMDOG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds6

About propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate

propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate (PubChem CID 112738600) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namepropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
PubChem CID112738600
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namepropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
SMILESCCCOC(=O)NCc1ccc(CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-2-9-17-13(16)15-10-12-5-3-11(4-6-12)7-8-14/h3-6H,2,7-10,14H2,1H3,(H,15,16)
InChIKeyVUDCFIZQIKMDOG-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 55079122
propyl N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]carbamate
CID 112738645
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430
N-[[4-(2-aminoethyl)phenyl]methyl]but-2-ynamide
CID 107990224
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
[4-(2-aminoethyl)phenyl] N-ethylcarbamate
CID 79337248
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106827980
5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
CID 6711074
benzene;ethyl N-benzylcarbamate
CID 67715166
4-[[4-(2-aminoethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 153379116
2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
CID 79345643

Frequently Asked Questions

What is the IUPAC name of propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
The IUPAC name of propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate (CID 112738600) is propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate.
What is the SMILES notation for propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
The canonical SMILES for propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate is CCCOC(=O)NCc1ccc(CCN)cc1.
What is the InChIKey of propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
The InChIKey is VUDCFIZQIKMDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-9-17-13(16)15-10-12-5-3-11(4-6-12)7-8-14/h3-6H,2,7-10,14H2,1H3,(H,15,16).
What are the key properties of propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 112738600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).