(1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine

C14H19F2N5 — CID 97334314

IUPAC(1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine
SMILESCC[C@H](NCc1nnnn1C(C)C)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2N5/c1-4-13(11-7-10(15)5-6-12(11)16)17-8-14-18-19-20-21(14)9(2)3/h5-7,9,13,17H,4,8H2,1-3H3/t13-/m0/s1
InChIKeyLKOPORQPVOQYQP-ZDUSSCGKSA-N
MW295.34 g/mol
LogP2.77
Rot. Bonds6

About (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine

(1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine (PubChem CID 97334314) has the molecular formula C14H19F2N5 and a molecular weight of 295.34 g/mol. Its IUPAC name is (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine
PubChem CID97334314
Molecular FormulaC14H19F2N5
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name(1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine
SMILESCC[C@H](NCc1nnnn1C(C)C)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2N5/c1-4-13(11-7-10(15)5-6-12(11)16)17-8-14-18-19-20-21(14)9(2)3/h5-7,9,13,17H,4,8H2,1-3H3/t13-/m0/s1
InChIKeyLKOPORQPVOQYQP-ZDUSSCGKSA-N
XLogP2.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine (CID 97334314) is (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine is CC[C@H](NCc1nnnn1C(C)C)c1cc(F)ccc1F.
What is the InChIKey of (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine?
The InChIKey is LKOPORQPVOQYQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19F2N5/c1-4-13(11-7-10(15)5-6-12(11)16)17-8-14-18-19-20-21(14)9(2)3/h5-7,9,13,17H,4,8H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine?
(1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine has a molecular weight of 295.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-difluorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 97334314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).