(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate

C20H25ClN2O3 — CID 174734747

IUPAC(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate
SMILESCC(C)(C)N(CCOc1cccc(Cl)c1)C(=O)OCc1cccc(N)c1
InChIInChI=1S/C20H25ClN2O3/c1-20(2,3)23(10-11-25-18-9-5-7-16(21)13-18)19(24)26-14-15-6-4-8-17(22)12-15/h4-9,12-13H,10-11,14,22H2,1-3H3
InChIKeyQHNNEKFILLQVLU-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.74
Rot. Bonds6

About (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate

(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate (PubChem CID 174734747) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate.

Molecular Properties

Compound Name(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate
PubChem CID174734747
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate
SMILESCC(C)(C)N(CCOc1cccc(Cl)c1)C(=O)OCc1cccc(N)c1
InChIInChI=1S/C20H25ClN2O3/c1-20(2,3)23(10-11-25-18-9-5-7-16(21)13-18)19(24)26-14-15-6-4-8-17(22)12-15/h4-9,12-13H,10-11,14,22H2,1-3H3
InChIKeyQHNNEKFILLQVLU-UHFFFAOYSA-N
XLogP4.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate
CID 174734765
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide
CID 175087244
benzyl 4-(3-chlorophenoxy)-2-oxobutanoate
CID 134392581
tert-butyl N-[3-(3-aminophenyl)-2-(3-chlorophenoxy)propyl]carbamate
CID 174734745
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274381
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
3-(3-chlorophenoxy)propanamide
CID 23512799

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate?
The IUPAC name of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate (CID 174734747) is (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate.
What is the SMILES notation for (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate?
The canonical SMILES for (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate is CC(C)(C)N(CCOc1cccc(Cl)c1)C(=O)OCc1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate?
The InChIKey is QHNNEKFILLQVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-20(2,3)23(10-11-25-18-9-5-7-16(21)13-18)19(24)26-14-15-6-4-8-17(22)12-15/h4-9,12-13H,10-11,14,22H2,1-3H3.
What are the key properties of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate?
(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate has a molecular weight of 376.88 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate is sourced from PubChem (CID 174734747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).