2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

C16H26FNO — CID 62528167

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(CC(CNC(C)C)C(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-11(2)14(10-18-12(3)4)8-13-6-7-16(19-5)15(17)9-13/h6-7,9,11-12,14,18H,8,10H2,1-5H3
InChIKeyKEFRCLVJKAUKHP-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.65
Rot. Bonds7

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62528167) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62528167
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(CC(CNC(C)C)C(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-11(2)14(10-18-12(3)4)8-13-6-7-16(19-5)15(17)9-13/h6-7,9,11-12,14,18H,8,10H2,1-5H3
InChIKeyKEFRCLVJKAUKHP-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 65489905
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (CID 62528167) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is COc1ccc(CC(CNC(C)C)C(C)C)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is KEFRCLVJKAUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-11(2)14(10-18-12(3)4)8-13-6-7-16(19-5)15(17)9-13/h6-7,9,11-12,14,18H,8,10H2,1-5H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62528167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).