(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate

C16H18N2O3 — CID 43309306

IUPAC(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc(CN)cc2)c1
InChIInChI=1S/C16H18N2O3/c1-20-15-4-2-3-13(9-15)11-21-16(19)18-14-7-5-12(10-17)6-8-14/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyYCHMISJVADINQP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.90
Rot. Bonds5

About (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate

(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate (PubChem CID 43309306) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
PubChem CID43309306
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc(CN)cc2)c1
InChIInChI=1S/C16H18N2O3/c1-20-15-4-2-3-13(9-15)11-21-16(19)18-14-7-5-12(10-17)6-8-14/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyYCHMISJVADINQP-UHFFFAOYSA-N
XLogP2.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
CID 43469136
(3-methoxyphenyl)methyl N-(4-nitrophenyl)carbamate
CID 118367349
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
N-[3-(aminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]acetamide
CID 43823143
N-(4-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24708109
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
(3,4-dimethoxyphenyl)methyl N-[4-[[4-[(3,4-dimethoxyphenyl)methoxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 43835656
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate?
The IUPAC name of (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate (CID 43309306) is (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate?
The canonical SMILES for (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate is COc1cccc(COC(=O)Nc2ccc(CN)cc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate?
The InChIKey is YCHMISJVADINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-4-2-3-13(9-15)11-21-16(19)18-14-7-5-12(10-17)6-8-14/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate?
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 43309306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).