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

C14H20BrNO — CID 65081524

IUPACN-[1-(2-bromophenyl)ethyl]oxepan-4-amine
SMILESCC(NC1CCCOCC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11(13-6-2-3-7-14(13)15)16-12-5-4-9-17-10-8-12/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3
InChIKeyMNYDAEAFSDKEAK-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.67
Rot. Bonds3

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

N-[1-(2-bromophenyl)ethyl]oxepan-4-amine (PubChem CID 65081524) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]oxepan-4-amine
PubChem CID65081524
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]oxepan-4-amine
SMILESCC(NC1CCCOCC1)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11(13-6-2-3-7-14(13)15)16-12-5-4-9-17-10-8-12/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3
InChIKeyMNYDAEAFSDKEAK-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-chlorophenyl)ethyl]oxepan-4-amine
CID 81377433
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[(1S)-1-(2-bromophenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 81377968
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81379198
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]oxepan-4-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]oxepan-4-amine (CID 65081524) is N-[1-(2-bromophenyl)ethyl]oxepan-4-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]oxepan-4-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]oxepan-4-amine is CC(NC1CCCOCC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]oxepan-4-amine?
The InChIKey is MNYDAEAFSDKEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11(13-6-2-3-7-14(13)15)16-12-5-4-9-17-10-8-12/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]oxepan-4-amine?
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine has a molecular weight of 298.22 g/mol, XLogP of 3.67, 3 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]oxepan-4-amine is sourced from PubChem (CID 65081524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).