benzyl N-[4-(2-aminoethyl)phenyl]carbamate

C16H18N2O2 — CID 86810400

IUPACbenzyl N-[4-(2-aminoethyl)phenyl]carbamate
SMILESNCCc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-11-10-13-6-8-15(9-7-13)18-16(19)20-12-14-4-2-1-3-5-14/h1-9H,10-12,17H2,(H,18,19)
InChIKeyKNEJBNSHORSFKK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.94
Rot. Bonds5

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

benzyl N-[4-(2-aminoethyl)phenyl]carbamate (PubChem CID 86810400) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is benzyl N-[4-(2-aminoethyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-aminoethyl)phenyl]carbamate
PubChem CID86810400
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namebenzyl N-[4-(2-aminoethyl)phenyl]carbamate
SMILESNCCc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-11-10-13-6-8-15(9-7-13)18-16(19)20-12-14-4-2-1-3-5-14/h1-9H,10-12,17H2,(H,18,19)
InChIKeyKNEJBNSHORSFKK-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
[4-[2-[4-[(2-phenylacetyl)amino]phenyl]ethoxycarbonylamino]phenyl]methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 71085684
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
molecular hydrogen;[4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 161029288
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-(4-isocyanatophenyl)carbamate
CID 169355606
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
CID 67901820
(2,5-dihydroxypyrrol-1-yl) 2-[4-(phenylmethoxycarbonylamino)phenyl]acetate
CID 90878567

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-aminoethyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(2-aminoethyl)phenyl]carbamate (CID 86810400) is benzyl N-[4-(2-aminoethyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-aminoethyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(2-aminoethyl)phenyl]carbamate is NCCc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(2-aminoethyl)phenyl]carbamate?
The InChIKey is KNEJBNSHORSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-11-10-13-6-8-15(9-7-13)18-16(19)20-12-14-4-2-1-3-5-14/h1-9H,10-12,17H2,(H,18,19).
What are the key properties of benzyl N-[4-(2-aminoethyl)phenyl]carbamate?
benzyl N-[4-(2-aminoethyl)phenyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-aminoethyl)phenyl]carbamate is sourced from PubChem (CID 86810400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).