N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

C14H20ClN5O — CID 107065341

IUPACN-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClN5O/c1-4-7-16-12(9-14-17-19-20(2)18-14)11-8-10(15)5-6-13(11)21-3/h5-6,8,12,16H,4,7,9H2,1-3H3
InChIKeyDSZZDZOLROEART-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.16
Rot. Bonds7

About N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107065341) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107065341
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClN5O/c1-4-7-16-12(9-14-17-19-20(2)18-14)11-8-10(15)5-6-13(11)21-3/h5-6,8,12,16H,4,7,9H2,1-3H3
InChIKeyDSZZDZOLROEART-UHFFFAOYSA-N
XLogP2.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126
[1-(5-bromo-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 112742241
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048328
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135548
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole
CID 132532982
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107065341) is N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is DSZZDZOLROEART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-4-7-16-12(9-14-17-19-20(2)18-14)11-8-10(15)5-6-13(11)21-3/h5-6,8,12,16H,4,7,9H2,1-3H3.
What are the key properties of N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107065341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).