N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine

C17H26FNO — CID 106930893

IUPACN-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(COCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-13(2)9-19-10-16(12-20-11-14-3-4-14)15-5-7-17(18)8-6-15/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3
InChIKeySNIHFURXYQQVKQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.58
Rot. Bonds9

About N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine

N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine (PubChem CID 106930893) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
PubChem CID106930893
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(COCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-13(2)9-19-10-16(12-20-11-14-3-4-14)15-5-7-17(18)8-6-15/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3
InChIKeySNIHFURXYQQVKQ-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79437882
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
CID 103984798
2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
CID 115943448
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931382

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine (CID 106930893) is N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(COCC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is SNIHFURXYQQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13(2)9-19-10-16(12-20-11-14-3-4-14)15-5-7-17(18)8-6-15/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106930893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).