N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine

C12H18FNO — CID 63066757

IUPACN-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OC
InChIInChI=1S/C12H18FNO/c1-4-7-14-9(2)11-6-5-10(13)8-12(11)15-3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyDQFCLVLDAZDUQP-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.89
Rot. Bonds5

About N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine

N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 63066757) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
PubChem CID63066757
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OC
InChIInChI=1S/C12H18FNO/c1-4-7-14-9(2)11-6-5-10(13)8-12(11)15-3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyDQFCLVLDAZDUQP-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755
N-[1-[2-[(5-bromothiophen-2-yl)methoxy]-4-fluorophenyl]ethyl]propan-1-amine
CID 63485328
N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63065346
N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 66140310

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine (CID 63066757) is N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(F)cc1OC.
What is the InChIKey of N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is DQFCLVLDAZDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-7-14-9(2)11-6-5-10(13)8-12(11)15-3/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine?
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63066757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).