[5-chloro-2-(ethylamino)phenyl]methyl carbamate

C10H13ClN2O2 — CID 175511090

IUPAC[5-chloro-2-(ethylamino)phenyl]methyl carbamate
SMILESCCNc1ccc(Cl)cc1COC(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-2-13-9-4-3-8(11)5-7(9)6-15-10(12)14/h3-5,13H,2,6H2,1H3,(H2,12,14)
InChIKeyZPALCMAILXVRPJ-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.37
Rot. Bonds4

About [5-chloro-2-(ethylamino)phenyl]methyl carbamate

[5-chloro-2-(ethylamino)phenyl]methyl carbamate (PubChem CID 175511090) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]methyl carbamate.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]methyl carbamate
PubChem CID175511090
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name[5-chloro-2-(ethylamino)phenyl]methyl carbamate
SMILESCCNc1ccc(Cl)cc1COC(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-2-13-9-4-3-8(11)5-7(9)6-15-10(12)14/h3-5,13H,2,6H2,1H3,(H2,12,14)
InChIKeyZPALCMAILXVRPJ-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
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4-chloro-2-(ethylamino)phenol
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4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
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5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
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5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568
N-[2-(aminomethyl)-4-chlorophenyl]propanamide
CID 66877518
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
(3-methyloxetan-3-yl)methyl 5-chloro-2-(ethylamino)benzoate
CID 99795603
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]methyl carbamate?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]methyl carbamate (CID 175511090) is [5-chloro-2-(ethylamino)phenyl]methyl carbamate.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]methyl carbamate?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]methyl carbamate is CCNc1ccc(Cl)cc1COC(N)=O.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]methyl carbamate?
The InChIKey is ZPALCMAILXVRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-2-13-9-4-3-8(11)5-7(9)6-15-10(12)14/h3-5,13H,2,6H2,1H3,(H2,12,14).
What are the key properties of [5-chloro-2-(ethylamino)phenyl]methyl carbamate?
[5-chloro-2-(ethylamino)phenyl]methyl carbamate has a molecular weight of 228.68 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)phenyl]methyl carbamate is sourced from PubChem (CID 175511090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).