N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine

C14H22FNO — CID 62516080

IUPACN-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
SMILESCCNCC(CCOC)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-16-11-13(8-9-17-2)10-12-4-6-14(15)7-5-12/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyOFMBCYKAVPJVGC-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.63
Rot. Bonds8

About N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine

N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine (PubChem CID 62516080) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
PubChem CID62516080
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
SMILESCCNCC(CCOC)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-16-11-13(8-9-17-2)10-12-4-6-14(15)7-5-12/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyOFMBCYKAVPJVGC-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
CID 103984265
2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine (CID 62516080) is N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine is CCNCC(CCOC)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine?
The InChIKey is OFMBCYKAVPJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-16-11-13(8-9-17-2)10-12-4-6-14(15)7-5-12/h4-7,13,16H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine?
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine is sourced from PubChem (CID 62516080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).