[4-(2-aminopropyl)phenyl] carbamate

C10H14N2O2 — CID 57045083

IUPAC[4-(2-aminopropyl)phenyl] carbamate
SMILESCC(N)Cc1ccc(OC(N)=O)cc1
InChIInChI=1S/C10H14N2O2/c1-7(11)6-8-2-4-9(5-3-8)14-10(12)13/h2-5,7H,6,11H2,1H3,(H2,12,13)
InChIKeySDOOUFOKIJWSJF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds3

About [4-(2-aminopropyl)phenyl] carbamate

[4-(2-aminopropyl)phenyl] carbamate (PubChem CID 57045083) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is [4-(2-aminopropyl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(2-aminopropyl)phenyl] carbamate
PubChem CID57045083
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name[4-(2-aminopropyl)phenyl] carbamate
SMILESCC(N)Cc1ccc(OC(N)=O)cc1
InChIInChI=1S/C10H14N2O2/c1-7(11)6-8-2-4-9(5-3-8)14-10(12)13/h2-5,7H,6,11H2,1H3,(H2,12,13)
InChIKeySDOOUFOKIJWSJF-UHFFFAOYSA-N
XLogP1.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
[4-(2-aminopropyl)phenyl] propanoate
CID 67868475
[4-[4-[(2R)-2-aminopropyl]phenyl]phenyl] propanoate
CID 91530877
[4-(2-aminopropyl)phenyl] cyclopropanecarboxylate
CID 170864830
(4-ethylphenyl) carbamate
CID 1269945
(4-propan-2-ylphenyl) carbamate
CID 57008477
2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminopropyl)phenyl] carbamate?
The IUPAC name of [4-(2-aminopropyl)phenyl] carbamate (CID 57045083) is [4-(2-aminopropyl)phenyl] carbamate.
What is the SMILES notation for [4-(2-aminopropyl)phenyl] carbamate?
The canonical SMILES for [4-(2-aminopropyl)phenyl] carbamate is CC(N)Cc1ccc(OC(N)=O)cc1.
What is the InChIKey of [4-(2-aminopropyl)phenyl] carbamate?
The InChIKey is SDOOUFOKIJWSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(11)6-8-2-4-9(5-3-8)14-10(12)13/h2-5,7H,6,11H2,1H3,(H2,12,13).
What are the key properties of [4-(2-aminopropyl)phenyl] carbamate?
[4-(2-aminopropyl)phenyl] carbamate has a molecular weight of 194.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminopropyl)phenyl] carbamate is sourced from PubChem (CID 57045083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).