N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine

C14H23FN2O — CID 103395679

IUPACN',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1ccc(OC)cc1F
InChIInChI=1S/C14H23FN2O/c1-4-17(5-2)9-8-14(16)12-7-6-11(18-3)10-13(12)15/h6-7,10,14H,4-5,8-9,16H2,1-3H3
InChIKeyTWVIOXLSGSQQIW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.57
Rot. Bonds7

About N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine

N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine (PubChem CID 103395679) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
PubChem CID103395679
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1ccc(OC)cc1F
InChIInChI=1S/C14H23FN2O/c1-4-17(5-2)9-8-14(16)12-7-6-11(18-3)10-13(12)15/h6-7,10,14H,4-5,8-9,16H2,1-3H3
InChIKeyTWVIOXLSGSQQIW-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 103397334
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
N',N'-diethyl-1-(2,3,4-trifluorophenyl)propane-1,3-diamine
CID 79087025
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
CID 43561605

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine (CID 103395679) is N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine is CCN(CC)CCC(N)c1ccc(OC)cc1F.
What is the InChIKey of N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is TWVIOXLSGSQQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-17(5-2)9-8-14(16)12-7-6-11(18-3)10-13(12)15/h6-7,10,14H,4-5,8-9,16H2,1-3H3.
What are the key properties of N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine?
N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 103395679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).