N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine

C14H20FN — CID 115898727

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
SMILESCc1ccc(C(NCCCF)C2CC2)cc1
InChIInChI=1S/C14H20FN/c1-11-3-5-12(6-4-11)14(13-7-8-13)16-10-2-9-15/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyZHAIVTCNGVATNJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.40
Rot. Bonds6

About N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine

N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine (PubChem CID 115898727) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
PubChem CID115898727
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
SMILESCc1ccc(C(NCCCF)C2CC2)cc1
InChIInChI=1S/C14H20FN/c1-11-3-5-12(6-4-11)14(13-7-8-13)16-10-2-9-15/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyZHAIVTCNGVATNJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103910587
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860420
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-(4-methylphenyl)methanamine
CID 114099572
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine (CID 115898727) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine is Cc1ccc(C(NCCCF)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine?
The InChIKey is ZHAIVTCNGVATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-3-5-12(6-4-11)14(13-7-8-13)16-10-2-9-15/h3-6,13-14,16H,2,7-10H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 115898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).