N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine

C17H26BrNO — CID 83033053

IUPACN-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)c2ccccc2Br)CCO1
InChIInChI=1S/C17H26BrNO/c1-4-17(5-2)12-14(10-11-20-17)19-13(3)15-8-6-7-9-16(15)18/h6-9,13-14,19H,4-5,10-12H2,1-3H3
InChIKeyCDBRRZFELCPEKS-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.84
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine

N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine (PubChem CID 83033053) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine
PubChem CID83033053
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)c2ccccc2Br)CCO1
InChIInChI=1S/C17H26BrNO/c1-4-17(5-2)12-14(10-11-20-17)19-13(3)15-8-6-7-9-16(15)18/h6-9,13-14,19H,4-5,10-12H2,1-3H3
InChIKeyCDBRRZFELCPEKS-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
N-[(1S)-1-(2-bromophenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 81377968
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
2-[1-[(2,2-diethyloxan-4-yl)amino]propyl]phenol
CID 83035645
N-[1-(4-bromothiophen-2-yl)ethyl]-2,2-diethyloxan-4-amine
CID 107167625
N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81379198
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
CID 83035848
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine
CID 83035815
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine (CID 83033053) is N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine is CCC1(CC)CC(NC(C)c2ccccc2Br)CCO1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine?
The InChIKey is CDBRRZFELCPEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-17(5-2)12-14(10-11-20-17)19-13(3)15-8-6-7-9-16(15)18/h6-9,13-14,19H,4-5,10-12H2,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine?
N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine has a molecular weight of 340.31 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine is sourced from PubChem (CID 83033053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).