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

C14H23FN2 — CID 62645505

IUPACN'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(F)c1)C(C)C
InChIInChI=1S/C14H23FN2/c1-4-17(11(2)3)9-8-14(16)12-6-5-7-13(15)10-12/h5-7,10-11,14H,4,8-9,16H2,1-3H3
InChIKeyLAKBXMYGMIPEIL-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds6

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

N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62645505) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62645505
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(F)c1)C(C)C
InChIInChI=1S/C14H23FN2/c1-4-17(11(2)3)9-8-14(16)12-6-5-7-13(15)10-12/h5-7,10-11,14H,4,8-9,16H2,1-3H3
InChIKeyLAKBXMYGMIPEIL-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-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62643255
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62643348
1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
CID 62643649

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62645505) is N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine is CCN(CCC(N)c1cccc(F)c1)C(C)C.
What is the InChIKey of N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is LAKBXMYGMIPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-17(11(2)3)9-8-14(16)12-6-5-7-13(15)10-12/h5-7,10-11,14H,4,8-9,16H2,1-3H3.
What are the key properties of N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-ethyl-1-(3-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-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62645505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).