1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine

C14H21FN2 — CID 113407488

IUPAC1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1cc(F)ccc1CNC(C)CNC1CC1
InChIInChI=1S/C14H21FN2/c1-10-7-13(15)4-3-12(10)9-16-11(2)8-17-14-5-6-14/h3-4,7,11,14,16-17H,5-6,8-9H2,1-2H3
InChIKeyLNRJMKRINSTVJM-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.36
Rot. Bonds6

About 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine

1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 113407488) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
PubChem CID113407488
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1cc(F)ccc1CNC(C)CNC1CC1
InChIInChI=1S/C14H21FN2/c1-10-7-13(15)4-3-12(10)9-16-11(2)8-17-14-5-6-14/h3-4,7,11,14,16-17H,5-6,8-9H2,1-2H3
InChIKeyLNRJMKRINSTVJM-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114349189
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
2-N-[(3-bromo-2-fluorophenyl)methyl]-1-N-cyclopropylpropane-1,2-diamine
CID 114019822
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350364
1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703507
2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
CID 65059821
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
4-bromo-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-2-amine
CID 114349186

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine (CID 113407488) is 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine is Cc1cc(F)ccc1CNC(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is LNRJMKRINSTVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-7-13(15)4-3-12(10)9-16-11(2)8-17-14-5-6-14/h3-4,7,11,14,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine?
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 113407488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).