N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine

C14H23FN2 — CID 62643077

IUPACN'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H23FN2/c1-4-17(11(2)3)10-9-14(16)12-5-7-13(15)8-6-12/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyQYMBNROPWLYWJA-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds6

About N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine

N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62643077) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62643077
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H23FN2/c1-4-17(11(2)3)10-9-14(16)12-5-7-13(15)8-6-12/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyQYMBNROPWLYWJA-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619620
1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493353
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 43265715
1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62643077) is N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine is CCN(CCC(N)c1ccc(F)cc1)C(C)C.
What is the InChIKey of N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is QYMBNROPWLYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-17(11(2)3)10-9-14(16)12-5-7-13(15)8-6-12/h5-8,11,14H,4,9-10,16H2,1-3H3.
What are the key properties of N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62643077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).