(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate

C14H22N2O3 — CID 106666335

IUPAC(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate
SMILESCOC(C)(C)CCOC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-3)8-9-19-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyCBBXOXNZBKWMBC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.51
Rot. Bonds6

About (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate

(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate (PubChem CID 106666335) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate
PubChem CID106666335
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate
SMILESCOC(C)(C)CCOC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-3)8-9-19-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyCBBXOXNZBKWMBC-UHFFFAOYSA-N
XLogP2.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate
CID 112588469
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
tert-butyl N-[4-(aminomethyl)-2,6-dideuteriophenyl]carbamate
CID 132507033
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol
CID 106665153
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
methyl N-[4-(4-aminobutyl)phenyl]carbamate
CID 117318517
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyloxy]ethyl 2,2-dimethylpropanoate
CID 163646183
(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate
CID 102979001

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate?
The IUPAC name of (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate (CID 106666335) is (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate?
The canonical SMILES for (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate is COC(C)(C)CCOC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate?
The InChIKey is CBBXOXNZBKWMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,18-3)8-9-19-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate?
(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 106666335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).