tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate

C15H25N3O3 — CID 107239656

IUPACtert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
SMILESCOc1ccc(NC(C)CN)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-10(9-16)17-11-6-7-13(20-5)12(8-11)18-14(19)21-15(2,3)4/h6-8,10,17H,9,16H2,1-5H3,(H,18,19)
InChIKeyAKUBMWPATMFPPO-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.80
Rot. Bonds5

About tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate

tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate (PubChem CID 107239656) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
PubChem CID107239656
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
SMILESCOc1ccc(NC(C)CN)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-10(9-16)17-11-6-7-13(20-5)12(8-11)18-14(19)21-15(2,3)4/h6-8,10,17H,9,16H2,1-5H3,(H,18,19)
InChIKeyAKUBMWPATMFPPO-UHFFFAOYSA-N
XLogP2.80
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoate
CID 103711004
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
tert-butyl N-[5-(hexylamino)-2-methoxyphenyl]carbamate
CID 107239632
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
CID 117450332
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[5-[(3-aminocyclobutyl)amino]-2-methoxyphenyl]carbamate
CID 107239640
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117491724
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
CID 103388467

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate (CID 107239656) is tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate is COc1ccc(NC(C)CN)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate?
The InChIKey is AKUBMWPATMFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(9-16)17-11-6-7-13(20-5)12(8-11)18-14(19)21-15(2,3)4/h6-8,10,17H,9,16H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate?
tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 107239656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).