2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine

C13H18ClN5 — CID 107053428

IUPAC2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1nnn(C)n1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN5/c1-3-15-9-11(8-13-16-18-19(2)17-13)10-5-4-6-12(14)7-10/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyUJQCCBNJPFZJOR-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.80
Rot. Bonds6

About 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine

2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107053428) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107053428
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1nnn(C)n1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN5/c1-3-15-9-11(8-13-16-18-19(2)17-13)10-5-4-6-12(14)7-10/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyUJQCCBNJPFZJOR-UHFFFAOYSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
CID 107053332
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014703
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052991
2-(3-chlorophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442795
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2-methyltetrazole
CID 107058150
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107053428) is 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine is CCNCC(Cc1nnn(C)n1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is UJQCCBNJPFZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-15-9-11(8-13-16-18-19(2)17-13)10-5-4-6-12(14)7-10/h4-7,11,15H,3,8-9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107053428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).