(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate

C12H18N2O2 — CID 83822855

IUPAC(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate
SMILESCc1ccc(OC(=O)NCC(C)N)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-11(9(2)6-8)16-12(15)14-7-10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15)
InChIKeyNBJBPLFGAWXTPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds3

About (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate

(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate (PubChem CID 83822855) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate
PubChem CID83822855
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate
SMILESCc1ccc(OC(=O)NCC(C)N)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-11(9(2)6-8)16-12(15)14-7-10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15)
InChIKeyNBJBPLFGAWXTPP-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylphenyl) N-(1-aminopropan-2-yl)carbamate
CID 83822856
(2,4-dimethylphenyl) 2-methylbutanoate
CID 20826576
(2,4-dimethylphenyl) 3-aminopropanoate
CID 82112021
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
CID 82283722
(4-bromo-2-methylphenyl) N-ethylcarbamate
CID 54003233
(2,4-dimethylphenyl) 2-methoxyethyl carbonate
CID 118088611
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152
(2,4-dimethylphenyl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 4073405
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate?
The IUPAC name of (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate (CID 83822855) is (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate.
What is the SMILES notation for (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate?
The canonical SMILES for (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate is Cc1ccc(OC(=O)NCC(C)N)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate?
The InChIKey is NBJBPLFGAWXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-11(9(2)6-8)16-12(15)14-7-10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15).
What are the key properties of (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate?
(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate has a molecular weight of 222.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) N-(2-aminopropyl)carbamate is sourced from PubChem (CID 83822855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).