2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine

C18H30FNO — CID 103036686

IUPAC2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FNO/c1-14(2)20-13-16(10-11-18(3,4)21-5)12-15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyKALYELGYRRUKFB-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.19
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine

2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 103036686) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
PubChem CID103036686
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FNO/c1-14(2)20-13-16(10-11-18(3,4)21-5)12-15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyKALYELGYRRUKFB-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
CID 103036645
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216
2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979345
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 105408036
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
CID 106675197
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617633

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine (CID 103036686) is 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine is COC(C)(C)CCC(CNC(C)C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is KALYELGYRRUKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-14(2)20-13-16(10-11-18(3,4)21-5)12-15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 103036686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).