methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate

C14H21ClN2O3 — CID 103388068

IUPACmethyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
SMILESCOCC(CCCN)Nc1cc(Cl)ccc1C(=O)OC
InChIInChI=1S/C14H21ClN2O3/c1-19-9-11(4-3-7-16)17-13-8-10(15)5-6-12(13)14(18)20-2/h5-6,8,11,17H,3-4,7,9,16H2,1-2H3
InChIKeyZBSCWJQZHOCBRR-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.29
Rot. Bonds8

About methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate

methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate (PubChem CID 103388068) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
PubChem CID103388068
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Namemethyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
SMILESCOCC(CCCN)Nc1cc(Cl)ccc1C(=O)OC
InChIInChI=1S/C14H21ClN2O3/c1-19-9-11(4-3-7-16)17-13-8-10(15)5-6-12(13)14(18)20-2/h5-6,8,11,17H,3-4,7,9,16H2,1-2H3
InChIKeyZBSCWJQZHOCBRR-UHFFFAOYSA-N
XLogP2.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate with MolForge

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
methyl 4-chloro-2-(3-methoxybutan-2-ylamino)benzoate
CID 113481640
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate (CID 103388068) is methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate is COCC(CCCN)Nc1cc(Cl)ccc1C(=O)OC.
What is the InChIKey of methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate?
The InChIKey is ZBSCWJQZHOCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-19-9-11(4-3-7-16)17-13-8-10(15)5-6-12(13)14(18)20-2/h5-6,8,11,17H,3-4,7,9,16H2,1-2H3.
What are the key properties of methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate?
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate has a molecular weight of 300.79 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate is sourced from PubChem (CID 103388068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).