N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine

C15H24FNO2 — CID 81107013

IUPACN-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OCCCF
InChIInChI=1S/C15H24FNO2/c1-4-18-15-10-13(11-17-12(2)3)6-7-14(15)19-9-5-8-16/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyQCEVZHCNYZKZDA-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.32
Rot. Bonds9

About N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine

N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine (PubChem CID 81107013) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
PubChem CID81107013
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OCCCF
InChIInChI=1S/C15H24FNO2/c1-4-18-15-10-13(11-17-12(2)3)6-7-14(15)19-9-5-8-16/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyQCEVZHCNYZKZDA-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43278195
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
(2R)-N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 100555543
N-[(4-butoxy-3-ethoxyphenyl)methyl]butan-2-amine
CID 132649783
N-[[3-(3-fluoropropoxy)-4-nitrophenyl]methyl]propan-2-amine
CID 81106175
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine (CID 81107013) is N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine is CCOc1cc(CNC(C)C)ccc1OCCCF.
What is the InChIKey of N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine?
The InChIKey is QCEVZHCNYZKZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-18-15-10-13(11-17-12(2)3)6-7-14(15)19-9-5-8-16/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine?
N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 81107013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).