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

C15H23N5O — CID 103085288

IUPACN-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(Cn2nnnc2C(C)NCC(C)C)cc1
InChIInChI=1S/C15H23N5O/c1-11(2)9-16-12(3)15-17-18-19-20(15)10-13-5-7-14(21-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyUBIMFERIGXCHNS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.04
Rot. Bonds7

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

N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 103085288) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
PubChem CID103085288
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(Cn2nnnc2C(C)NCC(C)C)cc1
InChIInChI=1S/C15H23N5O/c1-11(2)9-16-12(3)15-17-18-19-20(15)10-13-5-7-14(21-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyUBIMFERIGXCHNS-UHFFFAOYSA-N
XLogP2.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085661
N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085946
1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine
CID 1432518
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085480
2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085581
1-(4-methoxyphenyl)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446788
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
1-cyclohexyl-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446772
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
CID 1446489
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (CID 103085288) is N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is COc1ccc(Cn2nnnc2C(C)NCC(C)C)cc1.
What is the InChIKey of N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is UBIMFERIGXCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)9-16-12(3)15-17-18-19-20(15)10-13-5-7-14(21-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).