2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C15H21BrF3NO — CID 62514231

IUPAC2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNCC(CCCOCC(F)(F)F)Cc1ccccc1Br
InChIInChI=1S/C15H21BrF3NO/c1-20-10-12(5-4-8-21-11-15(17,18)19)9-13-6-2-3-7-14(13)16/h2-3,6-7,12,20H,4-5,8-11H2,1H3
InChIKeyVEIOGOGRLSYWKA-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.19
Rot. Bonds9

About 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62514231) has the molecular formula C15H21BrF3NO and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62514231
Molecular FormulaC15H21BrF3NO
Molecular Weight368.24 g/mol
Exact Mass367.08
IUPAC Name2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNCC(CCCOCC(F)(F)F)Cc1ccccc1Br
InChIInChI=1S/C15H21BrF3NO/c1-20-10-12(5-4-8-21-11-15(17,18)19)9-13-6-2-3-7-14(13)16/h2-3,6-7,12,20H,4-5,8-11H2,1H3
InChIKeyVEIOGOGRLSYWKA-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 ≤ 500368.24
LogP ≤ 54.19
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

2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977
2-[(2-bromophenyl)methyl]-N-methyl-4-(3-methylbutoxy)butan-1-amine
CID 62516836
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515043
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467
2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705871
2-[(2-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049663
2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
CID 106456725

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62514231) is 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CNCC(CCCOCC(F)(F)F)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is VEIOGOGRLSYWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3NO/c1-20-10-12(5-4-8-21-11-15(17,18)19)9-13-6-2-3-7-14(13)16/h2-3,6-7,12,20H,4-5,8-11H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 368.24 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-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62514231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).