tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate

C15H23FN2O2 — CID 84730610

IUPACtert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)20-14(19)18-10-12(9-17)7-11-5-4-6-13(16)8-11/h4-6,8,12H,7,9-10,17H2,1-3H3,(H,18,19)
InChIKeyRPBHHWYARCQOAM-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate

tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate (PubChem CID 84730610) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
PubChem CID84730610
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Nametert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)20-14(19)18-10-12(9-17)7-11-5-4-6-13(16)8-11/h4-6,8,12H,7,9-10,17H2,1-3H3,(H,18,19)
InChIKeyRPBHHWYARCQOAM-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
methyl (2R,3S)-4-(3-fluorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 90878773
tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
CID 84730991
tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
CID 107253789
tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
CID 103788194
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
tert-butyl N-[(1S)-2-(3-fluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate
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tert-butyl N-[2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[2-[3-(3-fluorophenyl)propanoylamino]ethylamino]-2-oxoethyl]carbamate
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tert-butyl N-[2-[(2-fluoro-4-pyridinyl)methyl]butyl]carbamate
CID 139378135
tert-butyl N-[2-[[N-ethyl-N'-[2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]carbamate
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tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate (CID 84730610) is tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(CN)Cc1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate?
The InChIKey is RPBHHWYARCQOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2,3)20-14(19)18-10-12(9-17)7-11-5-4-6-13(16)8-11/h4-6,8,12H,7,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate?
tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate has a molecular weight of 282.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate is sourced from PubChem (CID 84730610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).