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

C18H30FN — CID 63520998

IUPAC2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
SMILESCCCCCC(CNCC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-4-5-6-7-17(14-20-13-15(2)3)12-16-8-10-18(19)11-9-16/h8-11,15,17,20H,4-7,12-14H2,1-3H3
InChIKeyFGCMPXHHILWKGS-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.81
Rot. Bonds10

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

2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine (PubChem CID 63520998) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
PubChem CID63520998
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
SMILESCCCCCC(CNCC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-4-5-6-7-17(14-20-13-15(2)3)12-16-8-10-18(19)11-9-16/h8-11,15,17,20H,4-7,12-14H2,1-3H3
InChIKeyFGCMPXHHILWKGS-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
1-[2-(chloromethyl)octyl]-4-fluorobenzene
CID 66034373
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
2-benzyl-N-propylheptan-1-amine
CID 63496184
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine (CID 63520998) is 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine is CCCCCC(CNCC(C)C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is FGCMPXHHILWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-4-5-6-7-17(14-20-13-15(2)3)12-16-8-10-18(19)11-9-16/h8-11,15,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine?
2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 63520998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).