tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate

C17H26N2O3 — CID 117491724

IUPACtert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate
SMILESCOc1ccc(C2(C(C)N)CC2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-11(18)17(8-9-17)12-6-7-14(21-5)13(10-12)19-15(20)22-16(2,3)4/h6-7,10-11H,8-9,18H2,1-5H3,(H,19,20)
InChIKeyWOWRMCNIVIQQRZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate

tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate (PubChem CID 117491724) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate
PubChem CID117491724
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate
SMILESCOc1ccc(C2(C(C)N)CC2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-11(18)17(8-9-17)12-6-7-14(21-5)13(10-12)19-15(20)22-16(2,3)4/h6-7,10-11H,8-9,18H2,1-5H3,(H,19,20)
InChIKeyWOWRMCNIVIQQRZ-UHFFFAOYSA-N
XLogP3.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
methyl 2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoate
CID 103711004
tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117472268
tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
CID 107239656
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
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tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
2-amino-2-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117477516
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
CID 117450332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate (CID 117491724) is tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate is COc1ccc(C2(C(C)N)CC2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate?
The InChIKey is WOWRMCNIVIQQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(18)17(8-9-17)12-6-7-14(21-5)13(10-12)19-15(20)22-16(2,3)4/h6-7,10-11H,8-9,18H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate?
tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 117491724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).