2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine

C10H14ClFN2 — CID 122239721

IUPAC2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
SMILESNCC(F)(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClFN2/c11-9-3-1-8(2-4-9)5-10(12,6-13)7-14/h1-4H,5-7,13-14H2
InChIKeyWEIPKQNHDNLYHY-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.51
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine

2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine (PubChem CID 122239721) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
PubChem CID122239721
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
SMILESNCC(F)(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClFN2/c11-9-3-1-8(2-4-9)5-10(12,6-13)7-14/h1-4H,5-7,13-14H2
InChIKeyWEIPKQNHDNLYHY-UHFFFAOYSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
CID 122239719
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
1-amino-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]propane-2-sulfonic acid
CID 101391211
2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine
CID 112565924
2-[(4-chloro-3-methylphenyl)methyl]-2-fluorobutan-1-amine
CID 165484448
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine
CID 105490341
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine (CID 122239721) is 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine is NCC(F)(CN)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine?
The InChIKey is WEIPKQNHDNLYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c11-9-3-1-8(2-4-9)5-10(12,6-13)7-14/h1-4H,5-7,13-14H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine?
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine has a molecular weight of 216.69 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine is sourced from PubChem (CID 122239721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).