benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate

C19H24N2O2 — CID 59570072

IUPACbenzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate
SMILESCC(C)c1cc(CN)cc(N(C)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(2)17-9-16(12-20)10-18(11-17)21(3)19(22)23-13-15-7-5-4-6-8-15/h4-11,14H,12-13,20H2,1-3H3
InChIKeySGMPWWZYNYSEKW-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.04
Rot. Bonds5

About benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate

benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate (PubChem CID 59570072) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate
PubChem CID59570072
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namebenzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate
SMILESCC(C)c1cc(CN)cc(N(C)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(2)17-9-16(12-20)10-18(11-17)21(3)19(22)23-13-15-7-5-4-6-8-15/h4-11,14H,12-13,20H2,1-3H3
InChIKeySGMPWWZYNYSEKW-UHFFFAOYSA-N
XLogP4.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 156800719
CID 156800719
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(3-carbonochloridoylphenyl)-N-methylcarbamate
CID 87413582
benzyl N-(3-bromo-5-cyanophenyl)-N-methylcarbamate
CID 68671106
benzyl N-methyl-N-(4-nitrophenyl)carbamate
CID 102148526
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-methyl-N-(2-methylquinolin-6-yl)carbamate
CID 71379552
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
benzyl (2,6-dimethyl-4-propan-2-ylphenyl) carbonate
CID 134295416

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate (CID 59570072) is benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate is CC(C)c1cc(CN)cc(N(C)C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate?
The InChIKey is SGMPWWZYNYSEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)17-9-16(12-20)10-18(11-17)21(3)19(22)23-13-15-7-5-4-6-8-15/h4-11,14H,12-13,20H2,1-3H3.
What are the key properties of benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate?
benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate has a molecular weight of 312.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate is sourced from PubChem (CID 59570072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).