3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine

C16H27FN2 — CID 114831127

IUPAC3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-6-13(2)19(4)16(3,12-18)11-14-7-9-15(17)10-8-14/h7-10,13H,5-6,11-12,18H2,1-4H3
InChIKeyAOHCPXZNPPWZEM-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.21
Rot. Bonds7

About 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine

3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine (PubChem CID 114831127) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
PubChem CID114831127
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-6-13(2)19(4)16(3,12-18)11-14-7-9-15(17)10-8-14/h7-10,13H,5-6,11-12,18H2,1-4H3
InChIKeyAOHCPXZNPPWZEM-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine
CID 114992436
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
2-N-(cyclopropylmethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831441
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 114831154
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N-(2-ethoxyethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831420
1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
CID 114833191
4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 66178833
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine?
The IUPAC name of 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine (CID 114831127) is 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine is CCCC(C)N(C)C(C)(CN)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine?
The InChIKey is AOHCPXZNPPWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-6-13(2)19(4)16(3,12-18)11-14-7-9-15(17)10-8-14/h7-10,13H,5-6,11-12,18H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine?
3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 114831127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).