1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine

C14H21FN2 — CID 55016538

IUPAC1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1ccc(F)cc1)N(C)CC1CC1
InChIInChI=1S/C14H21FN2/c1-10(16)14(17(2)9-11-3-4-11)12-5-7-13(15)8-6-12/h5-8,10-11,14H,3-4,9,16H2,1-2H3
InChIKeySBUVEYDVKIKRHJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.56
Rot. Bonds5

About 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine

1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 55016538) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
PubChem CID55016538
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1ccc(F)cc1)N(C)CC1CC1
InChIInChI=1S/C14H21FN2/c1-10(16)14(17(2)9-11-3-4-11)12-5-7-13(15)8-6-12/h5-8,10-11,14H,3-4,9,16H2,1-2H3
InChIKeySBUVEYDVKIKRHJ-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63727122
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63726256
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
1-N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55021597
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
3-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]propanenitrile
CID 55016997
2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 107520427
1-(4-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-methylbutane-1,2-diamine
CID 55015238
2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol
CID 102631581
1-(4-fluorophenyl)-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 107521169
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine (CID 55016538) is 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine is CC(N)C(c1ccc(F)cc1)N(C)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is SBUVEYDVKIKRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(16)14(17(2)9-11-3-4-11)12-5-7-13(15)8-6-12/h5-8,10-11,14H,3-4,9,16H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55016538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).