N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

C14H20FNO — CID 114199475

IUPACN-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Oc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNO/c1-11(2)9-16-10-14(6-7-14)17-13-5-3-4-12(15)8-13/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyQONXKCPEECJEBK-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.98
Rot. Bonds6

About N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 114199475) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID114199475
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Oc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNO/c1-11(2)9-16-10-14(6-7-14)17-13-5-3-4-12(15)8-13/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyQONXKCPEECJEBK-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199476
N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199461
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199421
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
N-[[1-(3,5-difluorophenoxy)cyclopropyl]methyl]propan-2-amine
CID 114199534
2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199468
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353208

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 114199475) is N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Oc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QONXKCPEECJEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(2)9-16-10-14(6-7-14)17-13-5-3-4-12(15)8-13/h3-5,8,11,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114199475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).