tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate

C19H32N2O2 — CID 107244289

IUPACtert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate
SMILESCCCCC(C)NCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-6-7-8-15(2)20-13-16-9-11-17(12-10-16)14-21-18(22)23-19(3,4)5/h9-12,15,20H,6-8,13-14H2,1-5H3,(H,21,22)
InChIKeyTVBMIERGQCDXMF-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.38
Rot. Bonds8

About tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate (PubChem CID 107244289) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate
PubChem CID107244289
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate
SMILESCCCCC(C)NCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-6-7-8-15(2)20-13-16-9-11-17(12-10-16)14-21-18(22)23-19(3,4)5/h9-12,15,20H,6-8,13-14H2,1-5H3,(H,21,22)
InChIKeyTVBMIERGQCDXMF-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304
tert-butyl N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]carbamate
CID 58495494
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
tert-butyl N-[2-[[4-(difluoromethyl)phenyl]methylamino]propyl]carbamate
CID 107248199
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[[4-(hexanoylamino)phenyl]methyl]carbamate
CID 46915206
tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788233
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
CID 104756511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate (CID 107244289) is tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate is CCCCC(C)NCc1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is TVBMIERGQCDXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-6-7-8-15(2)20-13-16-9-11-17(12-10-16)14-21-18(22)23-19(3,4)5/h9-12,15,20H,6-8,13-14H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 107244289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).