N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

C14H20ClN5O — CID 107623260

IUPACN-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCOc1cc(-n2nnnc2C(C)NCC(C)C)ccc1Cl
InChIInChI=1S/C14H20ClN5O/c1-9(2)8-16-10(3)14-17-18-19-20(14)11-5-6-12(15)13(7-11)21-4/h5-7,9-10,16H,8H2,1-4H3
InChIKeyYVAGMDRGQPFARQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.63
Rot. Bonds6

About N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 107623260) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
PubChem CID107623260
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCOc1cc(-n2nnnc2C(C)NCC(C)C)ccc1Cl
InChIInChI=1S/C14H20ClN5O/c1-9(2)8-16-10(3)14-17-18-19-20(14)11-5-6-12(15)13(7-11)21-4/h5-7,9-10,16H,8H2,1-4H3
InChIKeyYVAGMDRGQPFARQ-UHFFFAOYSA-N
XLogP2.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086450
N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine
CID 107623543
N-[1-[1-(1,3-benzothiazol-6-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107806577
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-ethylethanamine
CID 103084725
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
N-[1-[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085140
2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086468
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086789

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (CID 107623260) is N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is COc1cc(-n2nnnc2C(C)NCC(C)C)ccc1Cl.
What is the InChIKey of N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is YVAGMDRGQPFARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-9(2)8-16-10(3)14-17-18-19-20(14)11-5-6-12(15)13(7-11)21-4/h5-7,9-10,16H,8H2,1-4H3.
What are the key properties of N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107623260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).