1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

C14H23FN2 — CID 43269458

IUPAC1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-4-9-17(11(2)3)14(10-16)12-7-5-6-8-13(12)15/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyODIQRMBLKGGTDE-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (PubChem CID 43269458) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
PubChem CID43269458
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-4-9-17(11(2)3)14(10-16)12-7-5-6-8-13(12)15/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyODIQRMBLKGGTDE-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

1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494
1-(3-bromo-4-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269361
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986740
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 62390733
1-(3-chloro-5-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 114453248
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (CID 43269458) is 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is CCCN(C(C)C)C(CN)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The InChIKey is ODIQRMBLKGGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-9-17(11(2)3)14(10-16)12-7-5-6-8-13(12)15/h5-8,11,14H,4,9-10,16H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-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 1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43269458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).