tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate

C15H24N2O2 — CID 43275716

IUPACtert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O2/c1-5-10-17(14(18)19-15(2,3)4)13-8-6-12(11-16)7-9-13/h6-9H,5,10-11,16H2,1-4H3
InChIKeyCDQUXLXKNJXNOR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.30
Rot. Bonds4

About tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate

tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate (PubChem CID 43275716) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
PubChem CID43275716
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O2/c1-5-10-17(14(18)19-15(2,3)4)13-8-6-12(11-16)7-9-13/h6-9H,5,10-11,16H2,1-4H3
InChIKeyCDQUXLXKNJXNOR-UHFFFAOYSA-N
XLogP3.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]phenyl]boronic acid
CID 74889329
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
CID 43275802
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl N-[[4-(aminomethyl)phenyl]methyl]-N-[4-(dipropylamino)butyl]carbamate
CID 66941409
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
CID 82984391
N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl N-[6-[(2-bromoacetyl)amino]-3-pyridinyl]-N-propylcarbamate
CID 164584734
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate (CID 43275716) is tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)c1ccc(CN)cc1.
What is the InChIKey of tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate?
The InChIKey is CDQUXLXKNJXNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-10-17(14(18)19-15(2,3)4)13-8-6-12(11-16)7-9-13/h6-9H,5,10-11,16H2,1-4H3.
What are the key properties of tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate?
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate is sourced from PubChem (CID 43275716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).