N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine

C15H23ClFNO2 — CID 104665060

IUPACN-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(Cl)cc(CNC(C)(C)C)c1OCCCF
InChIInChI=1S/C15H23ClFNO2/c1-15(2,3)18-10-11-8-12(16)9-13(19-4)14(11)20-7-5-6-17/h8-9,18H,5-7,10H2,1-4H3
InChIKeyHVDUWESVZSJZDU-UHFFFAOYSA-N
MW303.81 g/mol
LogP3.98
Rot. Bonds7

About N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 104665060) has the molecular formula C15H23ClFNO2 and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID104665060
Molecular FormulaC15H23ClFNO2
Molecular Weight303.81 g/mol
Exact Mass303.14
IUPAC NameN-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(Cl)cc(CNC(C)(C)C)c1OCCCF
InChIInChI=1S/C15H23ClFNO2/c1-15(2,3)18-10-11-8-12(16)9-13(19-4)14(11)20-7-5-6-17/h8-9,18H,5-7,10H2,1-4H3
InChIKeyHVDUWESVZSJZDU-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 53.98
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-[(5-chloro-3-methoxy-2-pent-4-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104665073
N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665044
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471773
N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106292

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 104665060) is N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1cc(Cl)cc(CNC(C)(C)C)c1OCCCF.
What is the InChIKey of N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HVDUWESVZSJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO2/c1-15(2,3)18-10-11-8-12(16)9-13(19-4)14(11)20-7-5-6-17/h8-9,18H,5-7,10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.81 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104665060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).