N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine

C14H21FN2 — CID 59862645

IUPACN'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
SMILESNCCCCN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H21FN2/c15-13-5-3-12(4-6-13)11-17(14-7-8-14)10-2-1-9-16/h3-6,14H,1-2,7-11,16H2
InChIKeyXFHGEXSPDPUJKV-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.53
Rot. Bonds7

About N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine

N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine (PubChem CID 59862645) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
PubChem CID59862645
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
SMILESNCCCCN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H21FN2/c15-13-5-3-12(4-6-13)11-17(14-7-8-14)10-2-1-9-16/h3-6,14H,1-2,7-11,16H2
InChIKeyXFHGEXSPDPUJKV-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875025
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
N-(3-aminopropyl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 43136754
N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102880556
N'-benzyl-N'-(1,1-dioxothian-4-yl)propane-1,3-diamine
CID 107365146
4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 54995340
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine (CID 59862645) is N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine is NCCCCN(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
The InChIKey is XFHGEXSPDPUJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-5-3-12(4-6-13)11-17(14-7-8-14)10-2-1-9-16/h3-6,14H,1-2,7-11,16H2.
What are the key properties of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine?
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 59862645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).