propyl N-[3-(aminomethyl)phenyl]carbamate

C11H16N2O2 — CID 43309364

IUPACpropyl N-[3-(aminomethyl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C11H16N2O2/c1-2-6-15-11(14)13-10-5-3-4-9(7-10)8-12/h3-5,7H,2,6,8,12H2,1H3,(H,13,14)
InChIKeyDZMCXGWXNFUUQS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.10
Rot. Bonds4

About propyl N-[3-(aminomethyl)phenyl]carbamate

propyl N-[3-(aminomethyl)phenyl]carbamate (PubChem CID 43309364) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is propyl N-[3-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(aminomethyl)phenyl]carbamate
PubChem CID43309364
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namepropyl N-[3-(aminomethyl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C11H16N2O2/c1-2-6-15-11(14)13-10-5-3-4-9(7-10)8-12/h3-5,7H,2,6,8,12H2,1H3,(H,13,14)
InChIKeyDZMCXGWXNFUUQS-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yloxyethyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309334
propyl N-(3-bromophenyl)carbamate
CID 19165876
2-[3-(butoxycarbonylamino)phenyl]acetic acid
CID 70264268
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
propyl N-(3-nitrophenyl)carbamate
CID 522989
[3-(propoxycarbonylamino)phenyl] carbonochloridate
CID 71444163
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
methyl 2-amino-3-[3-(butoxycarbonylamino)phenyl]propanoate
CID 174533776
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(aminomethyl)phenyl]carbamate?
The IUPAC name of propyl N-[3-(aminomethyl)phenyl]carbamate (CID 43309364) is propyl N-[3-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for propyl N-[3-(aminomethyl)phenyl]carbamate?
The canonical SMILES for propyl N-[3-(aminomethyl)phenyl]carbamate is CCCOC(=O)Nc1cccc(CN)c1.
What is the InChIKey of propyl N-[3-(aminomethyl)phenyl]carbamate?
The InChIKey is DZMCXGWXNFUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-6-15-11(14)13-10-5-3-4-9(7-10)8-12/h3-5,7H,2,6,8,12H2,1H3,(H,13,14).
What are the key properties of propyl N-[3-(aminomethyl)phenyl]carbamate?
propyl N-[3-(aminomethyl)phenyl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 43309364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).