N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride

C14H21ClFN — CID 115664737

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
SMILESCCCC1CC1NCc1cc(C)ccc1F.Cl
InChIInChI=1S/C14H20FN.ClH/c1-3-4-11-8-14(11)16-9-12-7-10(2)5-6-13(12)15;/h5-7,11,14,16H,3-4,8-9H2,1-2H3;1H
InChIKeyGWAYIEUTGYGWTP-UHFFFAOYSA-N
MW257.78 g/mol
LogP3.83
Rot. Bonds5

About N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride

N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride (PubChem CID 115664737) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
PubChem CID115664737
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
SMILESCCCC1CC1NCc1cc(C)ccc1F.Cl
InChIInChI=1S/C14H20FN.ClH/c1-3-4-11-8-14(11)16-9-12-7-10(2)5-6-13(12)15;/h5-7,11,14,16H,3-4,8-9H2,1-2H3;1H
InChIKeyGWAYIEUTGYGWTP-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 115968233
N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696342
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
1,3-dimethyl-5-[[(2-propylcyclopropyl)amino]methyl]pyrimidine-2,4-dione
CID 103711534
N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664685

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride (CID 115664737) is N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride is CCCC1CC1NCc1cc(C)ccc1F.Cl.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The InChIKey is GWAYIEUTGYGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN.ClH/c1-3-4-11-8-14(11)16-9-12-7-10(2)5-6-13(12)15;/h5-7,11,14,16H,3-4,8-9H2,1-2H3;1H.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride has a molecular weight of 257.78 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 115664737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).