N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine

C18H28FNO — CID 107006338

IUPACN-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESC=CCCCCCOc1cc(F)cc(CNCC(C)C)c1
InChIInChI=1S/C18H28FNO/c1-4-5-6-7-8-9-21-18-11-16(10-17(19)12-18)14-20-13-15(2)3/h4,10-12,15,20H,1,5-9,13-14H2,2-3H3
InChIKeyNAQRTRLYRBVMSM-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.70
Rot. Bonds11

About N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 107006338) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID107006338
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESC=CCCCCCOc1cc(F)cc(CNCC(C)C)c1
InChIInChI=1S/C18H28FNO/c1-4-5-6-7-8-9-21-18-11-16(10-17(19)12-18)14-20-13-15(2)3/h4,10-12,15,20H,1,5-9,13-14H2,2-3H3
InChIKeyNAQRTRLYRBVMSM-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
CID 107006334
N-[[3-fluoro-5-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 116615228
5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62784161
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
CID 107006244
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[(3-fluorophenyl)methyl]hept-6-en-1-amine
CID 107006535
N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107686926
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
1-fluoro-3-pent-4-enoxybenzene
CID 64764365

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine (CID 107006338) is N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine is C=CCCCCCOc1cc(F)cc(CNCC(C)C)c1.
What is the InChIKey of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is NAQRTRLYRBVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-5-6-7-8-9-21-18-11-16(10-17(19)12-18)14-20-13-15(2)3/h4,10-12,15,20H,1,5-9,13-14H2,2-3H3.
What are the key properties of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107006338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).