2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine

C22H30FNO — CID 112752307

IUPAC2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine
SMILESCC(C)CNCC(CCOCc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C22H30FNO/c1-18(2)15-24-16-21(13-20-9-6-10-22(23)14-20)11-12-25-17-19-7-4-3-5-8-19/h3-10,14,18,21,24H,11-13,15-17H2,1-2H3
InChIKeyFGRIHHKBLJWJSJ-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.84
Rot. Bonds11

About 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine

2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine (PubChem CID 112752307) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine
PubChem CID112752307
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC Name2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine
SMILESCC(C)CNCC(CCOCc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C22H30FNO/c1-18(2)15-24-16-21(13-20-9-6-10-22(23)14-20)11-12-25-17-19-7-4-3-5-8-19/h3-10,14,18,21,24H,11-13,15-17H2,1-2H3
InChIKeyFGRIHHKBLJWJSJ-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 106456671
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 62998868
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138561
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine (CID 112752307) is 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine is CC(C)CNCC(CCOCc1ccccc1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine?
The InChIKey is FGRIHHKBLJWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO/c1-18(2)15-24-16-21(13-20-9-6-10-22(23)14-20)11-12-25-17-19-7-4-3-5-8-19/h3-10,14,18,21,24H,11-13,15-17H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine?
2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine has a molecular weight of 343.49 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine is sourced from PubChem (CID 112752307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).