tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate

C18H27FN2O2 — CID 103872203

IUPACtert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate
SMILESCc1cc(CNCC(NC(=O)OC(C)(C)C)C2CC2)ccc1F
InChIInChI=1S/C18H27FN2O2/c1-12-9-13(5-8-15(12)19)10-20-11-16(14-6-7-14)21-17(22)23-18(2,3)4/h5,8-9,14,16,20H,6-7,10-11H2,1-4H3,(H,21,22)
InChIKeyXEYHAWWTWIRGQO-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.53
Rot. Bonds6

About tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate (PubChem CID 103872203) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate
PubChem CID103872203
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate
SMILESCc1cc(CNCC(NC(=O)OC(C)(C)C)C2CC2)ccc1F
InChIInChI=1S/C18H27FN2O2/c1-12-9-13(5-8-15(12)19)10-20-11-16(14-6-7-14)21-17(22)23-18(2,3)4/h5,8-9,14,16,20H,6-7,10-11H2,1-4H3,(H,21,22)
InChIKeyXEYHAWWTWIRGQO-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate
CID 107243924
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-1-cyclopropylethyl]carbamate
CID 107243963
tert-butyl N-[1-cyclopropyl-2-[(4-methoxyphenyl)methylamino]ethyl]carbamate
CID 103872184
tert-butyl N-[1-cyclopropyl-2-[(2-fluorophenyl)methylamino]ethyl]carbamate
CID 103872299
tert-butyl N-[1-cyclopropyl-2-[(1-propylpyrrol-3-yl)methylamino]ethyl]carbamate
CID 103527591
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258
tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
CID 103872270
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345
tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
CID 107095366
tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]pentyl]carbamate
CID 107253853
tert-butyl N-[2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 107244007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate (CID 103872203) is tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate is Cc1cc(CNCC(NC(=O)OC(C)(C)C)C2CC2)ccc1F.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate?
The InChIKey is XEYHAWWTWIRGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-12-9-13(5-8-15(12)19)10-20-11-16(14-6-7-14)21-17(22)23-18(2,3)4/h5,8-9,14,16,20H,6-7,10-11H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate has a molecular weight of 322.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 103872203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).